# drugs

entry: D01224
name: --- - Phenylpropanolamine hydrochloride (JAN/USP)
formula: C9H13NO. HCl
activity: Adrenergic [vasoconstrictor]
remark: Same as: C12651 Therapeutic category: 1180
comment: Component of Comtrex Cold and Flu Maximum Strength (TN)
kcf:
ATOM        12
            1   X   Cl   29.0332  -18.3267
            2   C8y C    23.1702  -18.4382
            3   C1c C    24.3800  -17.7461
            4   C8x C    23.1702  -19.8402
            5   C8x C    21.9604  -17.7461
            6   C1c C    24.3800  -16.3442
            7   O1a O    25.5957  -18.4382
            8   C8x C    21.9604  -20.5439
            9   C8x C    20.7447  -18.4382
            10  C1a C    23.1702  -15.6403
            11  N1a N    25.5957  -15.6403
            12  C8x C    20.7447  -19.8402
BOND        11
            1     3   2 1 #Up
            2     2   4 1
            3     2   5 2
            4     3   6 1
            5     3   7 1
            6     4   8 2
            7     5   9 1
            8     6  10 1
            9     6  11 1 #Up
            10    8  12 1
            11    9  12 2


entry: D01225
name: --- - Cocarboxylase (JAN) - Coenzymate (TN)
formula: C12H19N4O7P2S. Cl
remark: Therapeutic category: 3123
kcf:
ATOM        27
            1   X   Cl   10.6186   -6.5431 #-
            2   N5x N     7.4900   -8.4700
            3   C8y C     7.4900   -9.8700
            4   N5x N     8.7024  -10.5700
            5   C8y C     9.9149   -9.8700
            6   C8y C     9.9149   -8.4700
            7   C8x C     8.7024   -7.7700
            8   N1a N    11.1273  -10.5700
            9   N5y N    12.3397   -8.4700 #+
            10  C1b C    11.1273   -7.7700
            11  C1a C     6.2776  -10.5700
            12  C8x C    12.7907   -9.7941
            13  S2x S    14.1906   -9.7747
            14  C8y C    14.6047   -8.4374
            15  C8y C    13.4609   -7.6302
            16  C1a C    13.4410   -6.2300
            17  C1b C    17.0296   -8.4374
            18  C1b C    15.8172   -7.7374
            19  O2b O    18.2133   -7.7545
            20  P1b P    19.6133   -7.7545
            21  O2c O    21.0133   -7.7545
            22  P1b P    22.4133   -7.7545
            23  O3b O    19.6132   -6.3701
            24  O1c O    19.6135   -9.1699
            25  O1c O    23.8133   -7.7545
            26  O3b O    22.4132   -6.3701
            27  O1c O    22.4135   -9.1699
BOND        27
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     9  10 1
            9     6  10 1
            10    3  11 1
            11    9  12 2
            12   12  13 1
            13   13  14 1
            14   14  15 2
            15    9  15 1
            16   15  16 1
            17   17  18 1
            18   14  18 1
            19   17  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   20  23 2
            24   20  24 1
            25   22  25 1
            26   22  26 2
            27   22  27 1


entry: D01226
name: --- - Sulpiride (JP15/USAN) - Dogmatyl (TN)
formula: C15H23N3O4S
activity: Antidepressant
remark: Therapeutic category: 1179 2329
kcf:
ATOM        23
            1   S4a S    22.0221  -18.4030
            2   N1a N    20.6340  -18.4030
            3   O3c O    22.0221  -17.0148
            4   O3c O    22.0162  -19.7967
            5   C8y C    23.4272  -18.3973
            6   C8x C    24.1245  -19.6147
            7   C8x C    25.5296  -19.6090
            8   C8x C    24.1147  -17.1790
            9   C8y C    25.5197  -17.1734
            10  C8y C    26.2210  -18.3859
            11  O2a O    27.6191  -18.3876
            12  C5a C    26.2239  -15.9624
            13  N1b N    27.6220  -15.9641
            14  C1b C    29.7089  -17.1793
            15  C1b C    28.3195  -14.7561
            16  C1y C    29.7152  -14.7597
            17  N1y N    30.4165  -15.9773
            18  C1x C    31.7822  -15.6911
            19  C1x C    31.9389  -14.2969
            20  C1x C    30.6590  -13.7256
            21  O5a O    25.5192  -14.7438
            22  C1a C    30.4071  -18.4017
            23  C1a C    28.3168  -19.6062
BOND        24
            1    13  12 1
            2    12   9 1
            3     1   4 2
            4     5   6 2
            5     6   7 1
            6    14  17 1
            7    16  15 1
            8    15  13 1
            9     7  10 2
            10    9   8 2
            11    8   5 1
            12    1   5 1
            13   16  17 1
            14   17  18 1
            15   18  19 1
            16   19  20 1
            17   20  16 1
            18    1   2 1
            19   12  21 2
            20    1   3 2
            21   14  22 1
            22    9  10 1
            23   10  11 1
            24   11  23 1


entry: D01227
name: --- - Bosentan hydrate (JAN) - Bosentan (USAN) - Tracleer (TN)
formula: C27H29N5O6S. H2O
activity: Antagonist [endothelin receptor]
remark: Therapeutic category: 2190
kcf:
ATOM        40
            1   C8y C    29.0489  -21.7832
            2   C8x C    27.8386  -21.0866
            3   C8x C    26.6301  -21.7864
            4   C8y C    26.6320  -23.1827
            5   C8x C    27.8423  -23.8794
            6   C8x C    29.0507  -23.1795
            7   N5x N    30.2731  -23.8730
            8   C8y C    31.4763  -23.1692
            9   N1b N    31.4685  -21.7756
            10  O2a O    33.8684  -25.9698
            11  C1b C    33.8615  -27.3629
            12  C1b C    35.0645  -28.0655
            13  O1a O    36.2744  -27.3750
            14  C8x C    36.2815  -25.9819
            15  C8x C    35.0785  -25.2793
            16  C8y C    29.0558  -25.9556
            17  N5x N    27.8457  -25.2590
            18  C8x C    26.6372  -25.9588
            19  C8x C    26.6391  -27.3551
            20  C8x C    27.8494  -28.0517
            21  N5x N    29.0576  -27.3519
            22  C8y C    30.2660  -25.2661
            23  N5x N    31.4684  -25.9694
            24  C8y C    35.0858  -23.8870
            25  C8x C    37.4916  -25.2924
            26  C8x C    37.4987  -23.8993
            27  C8y C    36.2957  -23.1964
            28  C8y C    32.6795  -23.8801
            29  C8y C    32.6724  -25.2732
            30  O2a O    33.8894  -23.1895
            31  O2a O    36.3519  -21.7972
            32  C1d C    25.4182  -23.8659
            33  O3c O    31.3848  -20.2000
            34  C1a C    37.5550  -21.0937
            35  S4a S    30.2378  -21.0726
            36  O3c O    28.9291  -20.1931
            37  C1a C    24.2093  -23.1500
            38  C1a C    25.4028  -25.2700
            39  C1a C    24.2058  -24.5659
            40  O0  O    40.4119  -24.5062
BOND        42
            1    19  20 2
            2    20  21 1
            3    21  16 2
            4     2   3 2
            5     3   4 1
            6    22  16 1
            7    23  22 2
            8     4   5 2
            9     5   6 1
            10    6   1 2
            11   24  15 1
            12   14  25 1
            13   25  26 2
            14   26  27 1
            15   27  24 2
            16   10  11 1
            17   11  12 1
            18   12  13 1
            19   28  29 2
            20   29  10 1
            21   24  30 1
            22   30  28 1
            23    7  22 1
            24   23  29 1
            25   28   8 1
            26   14  15 2
            27   27  31 1
            28    4  32 1
            29    1   2 1
            30    7   8 2
            31    8   9 1
            32    9  35 1
            33   35  33 2
            34   35   1 1
            35   31  34 1
            36   16  17 1
            37   17  18 2
            38   35  36 2
            39   18  19 1
            40   32  37 1
            41   32  38 1
            42   32  39 1


entry: D01228
name: --- - Distigmine bromide (JP15) - Ubretid (TN)
formula: C22H32N4O4. 2Br
remark: Therapeutic category: 1231 1312
kcf:
ATOM        32
            1   X   Br   10.8112  -13.6523 #-
            2   X   Br   32.7804  -20.1826 #-
            3   C8y C    29.7353  -17.3380
            4   C8x C    29.7284  -18.7366
            5   N5y N    30.9361  -19.4420 #+
            6   C8x C    32.1507  -18.7488
            7   C8x C    32.1578  -17.3503
            8   C8x C    30.9502  -16.6449
            9   C8y C    14.0147  -16.7005
            10  O7a O    15.2248  -17.3903
            11  C8x C    14.0147  -15.2917
            12  C8x C    12.7989  -17.3962
            13  C7a C    16.4406  -16.6947
            14  N5y N    12.7989  -14.5844 #+
            15  C8x C    11.5772  -16.7005
            16  N1c N    17.6566  -17.3845
            17  O7a O    16.4348  -15.2800
            18  C8x C    11.5772  -15.2917
            19  C1a C    12.8047  -13.1816
            20  C1b C    18.8667  -16.6771
            21  C1a C    17.6566  -18.7875
            22  C1b C    20.0796  -17.3662
            23  C1b C    21.2803  -16.6669
            24  C1b C    22.4953  -17.3592
            25  C1b C    23.6960  -16.6599
            26  C1b C    24.9110  -17.3521
            27  N1c N    26.1117  -16.6529
            28  C7a C    27.3267  -17.3450
            29  O7a O    28.5275  -16.6458
            30  O7a O    27.3196  -18.7436
            31  C1a C    30.9686  -20.8345
            32  C1a C    26.1051  -15.2323
BOND        31
            1     9  11 1
            2     9  12 2
            3    10  13 1
            4    11  14 2
            5    12  15 1
            6    13  16 1
            7    13  17 2
            8    14  18 1
            9    14  19 1
            10   16  20 1
            11   16  21 1
            12   15  18 2
            13    4   5 2
            14   20  22 1
            15    5   6 1
            16   22  23 1
            17    6   7 2
            18   23  24 1
            19    7   8 1
            20   24  25 1
            21    8   3 2
            22   25  26 1
            23   26  27 1
            24   27  28 1
            25   28  29 1
            26   29   3 1
            27    3   4 1
            28   28  30 2
            29    9  10 1
            30    5  31 1
            31   27  32 1


entry: D01229
name: --- - Paramethasone acetate (JAN/USP) - Haldrone (TN)
formula: C24H31FO6
activity: Glucocorticoid
remark: Same as: C12656 Therapeutic category: 2454
kcf:
ATOM        31
            1   C1y C    24.4746  -21.4862
            2   C1y C    25.7237  -20.8091
            3   C1y C    23.2954  -20.7915
            4   C1x C    24.4746  -22.8522
            5   C1z C    25.6713  -19.4489
            6   C1x C    28.0120  -20.7682
            7   C1z C    22.1104  -21.4745
            8   C1y C    23.3071  -19.4314
            9   C1y C    23.2837  -23.5293
            10  C1z C    26.8563  -18.7834
            11  C1x C    24.4980  -18.7543
            12  C1a C    25.7646  -18.0888
            13  C1y C    28.0296  -19.4782
            14  C2y C    22.1046  -22.8405
            15  C2x C    20.9254  -20.7857
            16  C1a C    22.0346  -20.1611
            17  O1a O    22.1280  -18.7367
            18  X   F    23.2780  -24.9069
            19  C5a C    26.8737  -16.9917
            20  O1a O    27.9829  -17.9488
            21  C1a C    29.5005  -19.1279
            22  C2x C    20.9254  -23.5234
            23  C2x C    19.7347  -21.4745
            24  C1b C    28.0704  -16.3262
            25  O5a O    25.6947  -16.2970
            26  C5x C    19.7347  -22.8405
            27  O7a O    29.2437  -17.0208
            28  O5x O    18.5554  -23.5234
            29  C7a C    30.4609  -16.3357
            30  C1a C    31.6626  -17.0471
            31  O7a O    30.4761  -14.9391
BOND        34
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     3   7 1
            5     3   8 1
            6     4   9 1
            7     5  10 1
            8     5  11 1
            9     5  12 1 #Up
            10    6  13 1
            11    7  14 1
            12    7  15 1
            13    7  16 1 #Up
            14    8  17 1 #Up
            15    9  18 1 #Down
            16   10  19 1 #Up
            17   10  20 1 #Down
            18   13  21 1 #Down
            19   14  22 2
            20   15  23 2
            21   19  24 1
            22   19  25 2
            23   22  26 1
            24   24  27 1
            25   26  28 2
            26    8  11 1
            27    9  14 1
            28   10  13 1
            29   23  26 1
            30   27  29 1
            31    1   2 1
            32   29  30 1
            33    1   3 1
            34   29  31 2


entry: D01230
name: --- - Flunitrazepam (JP15/USAN) - Rohypnol (TN)
formula: C16H12FN3O3
activity: Sedative-hypnotic
remark: Therapeutic category: 1124
kcf:
ATOM        23
            1   C2y C    18.2031  -15.9778
            2   C8y C    17.3604  -14.8674
            3   C8y C    17.6959  -13.5097
            4   N1y N    18.9577  -12.9311
            5   N2x N    19.6099  -15.9330
            6   C5x C    20.2122  -13.5539
            7   C1x C    20.4989  -14.9236
            8   C8x C    16.6880  -12.5406
            9   C8x C    15.3451  -12.9289
            10  C8y C    15.0097  -14.2867
            11  C8x C    16.0175  -15.2555
            12  O5x O    21.2571  -12.6188
            13  N2b N    13.6439  -14.6814 #+
            14  C8y C    17.5682  -17.2284
            15  C8x C    16.1656  -17.2284
            16  C8x C    15.4651  -18.4417
            17  C8x C    16.1656  -19.6550
            18  C8x C    17.5682  -19.6550
            19  C8y C    18.2687  -18.4417
            20  X   F    19.6806  -18.4418
            21  C1a C    18.9795  -11.5553
            22  O3a O    13.6439  -16.0814
            23  O0  O    12.5377  -13.8498 #-
BOND        25
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    6  12 2
            14   10  13 1
            15    1  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   14  19 2
            22   19  20 1
            23    4  21 1
            24   13  22 2
            25   13  23 1


entry: D01231
name: --- - Piroheptine hydrochloride (JAN) - Trimol (TN)
formula: C22H25N. HCl
remark: Therapeutic category: 1169
kcf:
ATOM        24
            1   X   Cl   27.6507  -22.3893
            2   C2y C    23.7250  -18.3682
            3   C8y C    22.9040  -17.3085
            4   C8y C    25.0001  -18.3623
            5   C2y C    23.7250  -19.8413
            6   C8y C    22.8863  -15.9926
            7   C8x C    21.7453  -17.9431
            8   C8y C    25.8793  -17.4365
            9   C8x C    25.3726  -19.5909
            10  C1x C    24.4703  -15.0842
            11  C8x C    21.8267  -15.2939
            12  C8x C    20.6216  -17.2503
            13  C1x C    25.8851  -15.9634
            14  C8x C    27.1253  -17.7278
            15  C8x C    26.6187  -19.8820
            16  C8x C    20.6564  -15.9227
            17  C8x C    27.4863  -18.9504
            18  C1y C    22.5345  -20.7143
            19  N1y N    22.9896  -22.1152
            20  C1x C    24.4627  -22.1151
            21  C1x C    24.9179  -20.7141
            22  C1b C    22.1239  -23.3072
            23  C1a C    20.6588  -23.1532
            24  C1a C    21.1293  -20.2611
BOND        26
            1     4   8 2
            2     4   9 1
            3     6  10 1
            4     6  11 1
            5     7  12 2
            6     8  13 1
            7     8  14 1
            8     9  15 2
            9    11  16 2
            10   14  17 2
            11   10  13 1
            12   12  16 1
            13   15  17 1
            14    2   3 1
            15    2   4 1
            16    5  18 1
            17   18  19 1
            18   19  20 1
            19   20  21 1
            20   21   5 1
            21    2   5 2
            22   19  22 1
            23    3   6 2
            24   22  23 1
            25    3   7 1
            26   18  24 1


entry: D01232
name: --- - Nicametate citrate (JAN)
formula: C12H18N2O2. C6H8O7
remark: Therapeutic category: 2172
kcf:
ATOM        29
            1   C8x C    17.6298  -15.2896
            2   N5x N    16.4135  -15.9827
            3   C8x C    16.4055  -17.3824
            4   C8x C    17.6138  -18.0892
            5   C8x C    18.8301  -17.3961
            6   C8y C    18.8381  -15.9964
            7   C7a C    20.0410  -15.2967
            8   O7a O    21.2432  -15.9967
            9   C1b C    22.4524  -15.3038
            10  C1b C    23.6544  -16.0039
            11  N1c N    24.8636  -15.3108
            12  C1b C    26.0656  -16.0108
            13  C1a C    27.2748  -15.3179
            14  O7a O    20.0340  -13.8966
            15  C1b C    24.8564  -13.9107
            16  C1a C    26.0656  -13.2037
            17  C1d C    34.8337  -15.0358
            18  C1b C    33.6282  -15.7380
            19  C1b C    36.0508  -15.7263
            20  C6a C    35.5359  -13.8186
            21  O1a O    34.1256  -13.8127
            22  C6a C    32.4109  -15.0417
            23  C6a C    36.0508  -17.1308
            24  O6a O    34.8219  -12.5956
            25  O6a O    36.9345  -13.8186
            26  O6a O    31.1938  -15.7440
            27  O6a O    32.3992  -13.6372
            28  O6a O    37.2681  -17.8273
            29  O6a O    34.8277  -17.8273
BOND        28
            1     4   5 1
            2    11  12 1
            3     5   6 2
            4    12  13 1
            5     6   1 1
            6     7  14 2
            7    11  15 1
            8     6   7 1
            9    15  16 1
            10    7   8 1
            11    1   2 2
            12    8   9 1
            13    2   3 1
            14    9  10 1
            15    3   4 2
            16   10  11 1
            17   17  18 1
            18   17  19 1
            19   17  20 1
            20   17  21 1
            21   18  22 1
            22   19  23 1
            23   20  24 1
            24   20  25 2
            25   22  26 1
            26   22  27 2
            27   23  28 1
            28   23  29 2


entry: D01233
name: --- - Oxyfedrine hydrochloride (JAN) - Ildamen (TN)
formula: C19H23NO3. HCl
remark: Therapeutic category: 2171
kcf:
ATOM        24
            1   X   Cl   31.6137  -18.8011
            2   C8y C    28.1517  -17.3426
            3   C8x C    26.9338  -18.0366
            4   C8x C    26.9258  -19.4381
            5   C8x C    28.1357  -20.1459
            6   C8x C    29.3534  -19.4519
            7   C8x C    29.3613  -18.0504
            8   C8x C    19.7120  -15.2255
            9   C8x C    18.4942  -15.9195
            10  C8x C    18.4862  -17.3210
            11  C8y C    19.6961  -18.0288
            12  C8x C    20.9137  -17.3348
            13  C8y C    20.9217  -15.9333
            14  C5a C    22.1263  -15.2327
            15  C1b C    23.3299  -15.9336
            16  C1b C    24.5406  -15.2398
            17  N1b N    25.7443  -15.9408
            18  C1c C    26.9551  -15.2468
            19  C1c C    28.1586  -15.9477
            20  O5a O    22.1192  -13.8308
            21  O1a O    29.3693  -15.2539
            22  O2a O    19.6837  -19.4242
            23  C1a C    20.9934  -19.9764
            24  C1a C    26.9479  -13.8379
BOND        24
            1     2   3 1
            2     3   4 2
            3     4   5 1
            4     5   6 2
            5     6   7 1
            6     7   2 2
            7    13  14 1
            8    14  15 1
            9    15  16 1
            10   16  17 1
            11   17  18 1
            12   18  19 1
            13   19  21 1
            14   14  20 2
            15    8   9 1
            16    9  10 2
            17   10  11 1
            18   11  12 2
            19   11  22 1
            20   12  13 1
            21   22  23 1
            22   13   8 2
            23   18  24 1 #Up
            24   19   2 1 #Down


entry: D01235
name: --- - Josamycin (JP15/USAN) - Leucomycin A3 - Josamycin (TN) - JM
formula: C42H69NO15
activity: Antibacterial
remark: Same as: C12662 Therapeutic category: 6145
kcf:
ATOM        58
            1   C1y C    28.8885  -21.4172
            2   C1y C    29.9965  -22.0654
            3   O2a O    27.7850  -22.0654
            4   C1y C    28.8885  -20.1443
            5   C1y C    31.1167  -21.4172
            6   N1c N    29.9965  -23.3451
            7   C1y C    26.6827  -22.7024
            8   O2x O    29.9965  -19.5073
            9   C1a C    27.7908  -19.5073
            10  C1y C    31.1167  -20.1443
            11  O1a O    32.2259  -22.0654
            12  C1a C    31.1054  -23.9810
            13  C1a C    28.8942  -23.9810
            14  C1x C    26.6827  -23.9753
            15  O2x O    25.5624  -22.0654
            16  O2a O    33.3513  -17.3301
            17  C1z C    25.5624  -24.6234
            18  C1y C    24.4544  -22.7024
            19  C1y C    29.9346  -13.6690
            20  C1y C    24.4544  -23.9753
            21  C1a C    24.6985  -25.8456
            22  O1a O    26.4614  -26.0049
            23  C1a C    23.3567  -22.0654
            24  C1y C    29.9291  -12.3555
            25  C1y C    28.8732  -14.3344
            26  O7a O    23.3567  -24.6234
            27  C1x C    28.7862  -11.7129
            28  C1b C    31.0257  -11.7072
            29  C1y C    28.8088  -15.7160
            30  O2a O    27.7584  -13.7029
            31  C1y C    28.7862  -10.4232
            32  C4a C    32.1404  -12.3387
            33  C1x C    27.6659  -16.3073
            34  C1y C    27.6601   -9.7862
            35  C1a C    29.8885   -9.7806
            36  O4a O    33.2427  -11.6903
            37  C7x C    26.5058  -15.6647
            38  C2x C    26.5578  -10.4232
            39  O1a O    27.6601   -8.5141
            40  O7x O    25.3471  -16.3018
            41  O7x O    26.5058  -14.3851
            42  C2x C    26.5578  -11.7129
            43  C1y C    24.2042  -15.6071
            44  C2x C    25.4262  -12.3555
            45  C1x C    24.1874  -14.2540
            46  C1a C    23.0782  -16.2214
            47  C2x C    25.4092  -13.6520
            48  C1a C    27.8181  -12.4292
            49  C7a C    22.2529  -23.9972
            50  C1b C    21.1550  -24.6454
            51  O7a O    22.2401  -22.7296
            52  C1c C    20.0512  -24.0260
            53  C1a C    18.9628  -24.6722
            54  C1a C    20.0357  -22.7605
            55  O7a O    29.9721  -16.3864
            56  C7a C    29.9733  -17.7371
            57  O7a O    31.1435  -18.4114
            58  C1a C    28.8042  -18.4134
BOND        60
            1    10  16 1 #Up
            2    14  17 1
            3    15  18 1
            4    19  16 1 #Down
            5    17  20 1
            6    17  21 1 #Down
            7    17  22 1 #Up
            8    18  23 1 #Down
            9    19  24 1
            10   19  25 1
            11   20  26 1 #Up
            12   24  27 1
            13   24  28 1 #Down
            14   25  29 1
            15   25  30 1 #Down
            16   27  31 1
            17   28  32 1
            18   29  33 1
            19   31  34 1
            20   31  35 1 #Down
            21   32  36 2
            22   33  37 1
            23   34  38 1
            24   34  39 1 #Down
            25   37  40 1
            26   37  41 2
            27   38  42 2
            28   40  43 1
            29   42  44 1
            30   43  45 1
            31   43  46 1 #Down
            32   44  47 2
            33    8  10 1
            34   18  20 1
            35   45  47 1
            36   30  48 1
            37    1   2 1
            38   26  49 1
            39    1   3 1 #Down
            40   49  50 1
            41    1   4 1
            42   49  51 2
            43    2   5 1
            44   50  52 1
            45    2   6 1 #Up
            46    7   3 1 #Up
            47    4   8 1
            48    4   9 1 #Up
            49    5  10 1
            50    5  11 1 #Down
            51   52  53 1
            52    6  12 1
            53   52  54 1
            54   29  55 1 #Down
            55    6  13 1
            56   55  56 1
            57    7  14 1
            58   56  57 2
            59    7  15 1
            60   56  58 1


entry: D01236
name: --- - Conivaptan hydrochloride (JAN/USAN) - Vaprisol (TN)
formula: C32H26N4O2. HCl
activity: Hyponatremia and congestive heart failure [vasopressin antagonist]
remark: Therapeutic category: 2139
kcf:
ATOM        39
            1   X   Cl    7.0000  -20.0900
            2   C1x C    10.4300  -19.1800
            3   C8y C     9.5200  -17.9900
            4   C8y C     9.8700  -16.6600
            5   C8y C    11.2000  -16.0300
            6   C1x C    11.8300  -19.1800
            7   C8y C    12.3900  -16.6600
            8   N1y N    12.6700  -18.0600
            9   N4x N     8.7500  -15.8900
            10  C8y C     7.6300  -16.8000
            11  N5x N     8.1900  -17.9900
            12  C1a C     6.2300  -16.8000
            13  C5a C    13.8824  -18.7600
            14  C8y C    15.0949  -18.0600
            15  C8x C    13.5759  -15.9160
            16  C8x C    13.5246  -14.5169
            17  C8x C    12.3346  -13.8869
            18  C8x C    11.1486  -14.6309
            19  O5a O    13.8824  -20.1598
            20  C8x C    16.3260  -18.7710
            21  C8x C    17.5385  -18.0712
            22  C8y C    17.5387  -16.6712
            23  C8x C    16.3076  -15.9602
            24  C8x C    15.0951  -16.6600
            25  N1b N    18.7795  -15.9549
            26  C5a C    19.9794  -16.6479
            27  C8y C    21.1646  -15.9637
            28  O5a O    19.9794  -18.0597
            29  C8y C    22.3568  -16.6524
            30  C8x C    23.5694  -15.9526
            31  C8x C    23.5696  -14.5526
            32  C8x C    22.3774  -13.8639
            33  C8x C    21.1648  -14.5637
            34  C8y C    22.3567  -18.0597
            35  C8x C    21.1242  -18.7714
            36  C8x C    21.1243  -20.1714
            37  C8x C    22.3368  -20.8713
            38  C8x C    23.5693  -20.1597
            39  C8x C    23.5692  -18.7597
BOND        43
            1     4   5 1
            2     2   6 1
            3     5   7 1
            4     3   4 2
            5     6   8 1
            6     2   3 1
            7     7   8 1
            8     4   9 1
            9     9  10 1
            10   10  11 2
            11    3  11 1
            12   10  12 1
            13    8  13 1
            14   13  14 1
            15    7  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19    5  18 2
            20   13  19 2
            21   14  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   14  24 1
            27   22  25 1
            28   25  26 1
            29   26  27 1
            30   26  28 2
            31   27  29 2
            32   29  30 1
            33   30  31 2
            34   31  32 1
            35   32  33 2
            36   27  33 1
            37   29  34 1
            38   34  35 2
            39   35  36 1
            40   36  37 2
            41   37  38 1
            42   38  39 2
            43   34  39 1


entry: D01237
name: --- - Amogastrin (JAN)
formula: C35H46N6O8S
remark: Therapeutic category: 7221
kcf:
ATOM        50
            1   C1b C    23.2877  -20.3095
            2   C8y C    30.4921  -20.2884
            3   C8y C    19.9663  -13.8947
            4   C8y C    21.3566  -13.8947
            5   C8x C    22.0517  -12.6905
            6   C8x C    21.3566  -11.4864
            7   C8x C    19.9663  -11.4864
            8   C8x C    19.2711  -12.6905
            9   C8y C    19.6839  -15.2502
            10  C8x C    20.8790  -15.9414
            11  N4x N    21.9058  -15.0179
            12  C1a C    11.2874  -17.5639
            13  C1b C    12.4881  -18.2522
            14  C1d C    13.6888  -17.5570
            15  O7a O    14.8896  -18.2451
            16  C7a C    16.0903  -17.5500
            17  N1b N    17.2910  -18.2381
            18  C1c C    18.4917  -17.5429
            19  C5a C    19.6924  -18.2312
            20  N1b N    20.8931  -17.5359
            21  C1c C    22.0939  -18.2240
            22  C5a C    23.2945  -17.5289
            23  N1b N    24.4953  -18.2170
            24  C1c C    25.6961  -17.5218
            25  C5a C    26.8967  -18.2101
            26  N1b N    28.0975  -17.5150
            27  C1c C    29.2983  -18.2030
            28  C5a C    30.4989  -17.5078
            29  C1a C    13.7512  -18.9474
            30  C1a C    13.7512  -16.1669
            31  O7a O    16.0834  -16.1597
            32  C1b C    18.4848  -15.9449
            33  O5a O    19.6855  -19.6214
            34  C1b C    22.0870  -19.6144
            35  C1b C    25.6891  -15.5775
            36  O5a O    23.2877  -16.1387
            37  O5a O    26.8899  -19.6004
            38  C1b C    29.2913  -19.5933
            39  O5a O    30.4921  -16.1176
            40  N1a N    31.6997  -18.2030
            41  C6a C    26.8899  -14.8823
            42  O6a O    28.0906  -15.5706
            43  O6a O    26.8828  -13.4920
            44  S2a S    23.2833  -21.6999
            45  C1a C    24.4852  -22.3987
            46  C8x C    30.4902  -21.6997
            47  C8x C    31.7017  -22.4013
            48  C8x C    32.9151  -21.7029
            49  C8x C    32.9170  -20.2916
            50  C8x C    31.7055  -19.5900
BOND        52
            1     8   3 1
            2    20  21 1
            3    21  22 1
            4    22  23 1
            5    23  24 1
            6     9  10 2
            7    24  25 1
            8    10  11 1
            9    25  26 1
            10   11   4 1
            11   26  27 1
            12    3   9 1
            13   27  28 1
            14   14  29 1
            15   14  30 1
            16   12  13 1
            17   16  31 2
            18   18  32 1 #Up
            19   13  14 1
            20   19  33 2
            21   21  34 1 #Down
            22   14  15 1
            23   24  35 1 #Up
            24    3   4 2
            25   22  36 2
            26   15  16 1
            27   25  37 2
            28    4   5 1
            29   27  38 1 #Down
            30   16  17 1
            31   28  39 2
            32    5   6 2
            33   28  40 1
            34   32   9 1
            35   34   1 1
            36   17  18 1
            37   35  41 1
            38    6   7 1
            39   41  42 1
            40   38   2 1
            41   18  19 1
            42   41  43 2
            43    7   8 2
            44    1  44 1
            45   19  20 1
            46   44  45 1
            47    2  46 2
            48   46  47 1
            49   47  48 2
            50   48  49 1
            51   49  50 2
            52    2  50 1


entry: D01238
name: --- - Bucladesine sodium (JAN) - Actosin (TN)
formula: C18H23N5O8P. Na
remark: Therapeutic category: 2119 2699
kcf:
ATOM        33
            1   C8y C    26.7279  -11.4252
            2   N5x N    27.4398  -12.6360
            3   C1b C    29.5370  -11.4028
            4   C5a C    28.8250  -10.1920
            5   N1b N    27.4204  -10.2031
            6   C1y C    20.1522  -14.0671
            7   C1y C    19.7826  -12.7028
            8   C1x C    18.4164  -12.3407
            9   O2x O    17.4198  -13.3428
            10  P1b P    17.7892  -14.7070
            11  O2x O    19.1554  -15.0691
            12  C1y C    21.5622  -14.0681
            13  C1y C    22.0001  -12.6599
            14  O2x O    20.8588  -11.9009
            15  C8y C    24.6374  -12.6614
            16  N5x N    25.3494  -13.8721
            17  C8x C    26.7540  -13.8610
            18  C8y C    25.3300  -11.4395
            19  C8x C    23.2972  -10.8361
            20  N4y N    23.3088  -12.2349
            21  N5x N    24.6261  -10.3965
            22  O3b O    16.3793  -14.7065
            23  O0  O    17.7790  -16.1134 #-
            24  O7a O    22.2553  -15.2820
            25  O5a O    29.5126   -8.9715
            26  C7a C    21.5459  -16.4970
            27  C1b C    22.2435  -17.7187
            28  O7a O    20.1390  -16.4902
            29  C1b C    23.6599  -17.7256
            30  C1a C    24.3473  -18.9297
            31  C1b C    30.9399  -11.3915
            32  C1a C    31.6577  -12.6120
            33  Z   Na   17.6395  -17.5110 #+
BOND        35
            1     6   7 1
            2    15  16 1
            3    16  17 2
            4    17   2 1
            5     1  18 1
            6    18  15 2
            7     7   8 1 #Up
            8     8   9 1
            9     9  10 1
            10   19  20 1
            11   20  15 1
            12   18  21 1
            13   21  19 2
            14   13  20 1 #Up
            15   10  11 1
            16   10  22 2
            17    6  11 1 #Down
            18   10  23 1
            19   12  24 1 #Down
            20    4  25 2
            21    1   2 2
            22   12  13 1
            23   13  14 1
            24   24  26 1
            25   14   7 1
            26   26  27 1
            27    6  12 1
            28    3   4 1
            29    4   5 1
            30   26  28 2
            31    5   1 1
            32   27  29 1
            33   29  30 1
            34    3  31 1
            35   31  32 1


entry: D01239
name: --- - Prednisolone sodium succinate (JP15/USP) - Kohakusanin (TN)
formula: C25H31O8. Na
activity: Glucocorticoid
remark: Same as: C12666 Therapeutic category: 2456
kcf:
ATOM        34
            1   C1y C    21.9205  -19.8507
            2   C1y C    20.7278  -20.4930
            3   C1z C    21.9205  -18.4746
            4   C1x C    24.3058  -19.8507
            5   C1y C    19.5810  -19.8049
            6   C1x C    20.7278  -21.8691
            7   C1z C    23.1132  -17.8324
            8   C1x C    20.7737  -17.7865
            9   C1x C    24.3058  -18.5205
            10  C1z C    18.3883  -20.4930
            11  C1y C    19.5810  -18.4746
            12  C1x C    19.5351  -22.5571
            13  C5a C    23.1132  -16.1117
            14  C2y C    18.3883  -21.8691
            15  C2x C    17.1957  -19.8049
            16  O1a O    18.3883  -17.7865
            17  C1b C    24.2600  -15.4236
            18  O5a O    21.9205  -15.4236
            19  C2x C    17.1957  -22.5571
            20  C2x C    16.0490  -20.4930
            21  O7a O    25.4525  -16.1117
            22  C5x C    16.0490  -21.8691
            23  C7a C    26.5993  -15.4236
            24  O5x O    14.8563  -22.5571
            25  C1b C    27.7920  -16.1117
            26  O7a O    26.5993  -14.0475
            27  C1b C    28.9847  -15.4236
            28  C6a C    30.1773  -16.1117
            29  O0  O    31.3241  -15.4236 #-
            30  O6a O    30.1773  -17.4878
            31  C1a C    21.9205  -17.0965
            32  C1a C    18.3883  -19.1148
            33  O1a O    24.3066  -17.1433
            34  Z   Na   33.3900  -15.4700 #-
BOND        36
            1     3   7 1
            2     3   8 1
            3     4   9 1
            4     5  10 1
            5     5  11 1
            6     6  12 1
            7     7  13 1 #Up
            8    10  14 1
            9    10  15 1
            10   11  16 1 #Up
            11   13  17 1
            12   13  18 2
            13   14  19 2
            14   15  20 2
            15   17  21 1
            16   19  22 1
            17   21  23 1
            18   22  24 2
            19   23  25 1
            20   23  26 2
            21    7   9 1
            22    8  11 1
            23   12  14 1
            24   20  22 1
            25    1   2 1
            26   25  27 1
            27    1   3 1
            28   27  28 1
            29    1   4 1
            30   28  29 1
            31    2   5 1
            32   28  30 2
            33    2   6 1
            34    3  31 1 #Up
            35   10  32 1 #Up
            36    7  33 1 #Down


entry: D01240
name: --- - Deslanoside (JP15/USP) - Cedilanid-d (TN)
formula: C47H74O19
activity: Cardiotonic
remark: Therapeutic category: 2113
kcf:
ATOM        66
            1   C1y C    20.1032  -17.8327
            2   C1x C    20.1090  -16.4163
            3   C1y C    18.8872  -15.7042
            4   C1y C    17.6596  -16.4062
            5   C1y C    17.6538  -17.8225
            6   O2x O    18.8755  -18.5347
            7   O1a O    18.8930  -14.2955
            8   O2a O    16.4369  -15.6935
            9   C1a C    16.4217  -18.5271
            10  C1y C    25.0059  -16.4162
            11  O2x O    23.8038  -15.7091
            12  C1y C    22.5311  -16.4162
            13  C1y C    22.5311  -17.8304
            14  C1y C    23.7331  -18.5375
            15  C1x C    25.0059  -17.8304
            16  C1z C    38.2990  -15.7798
            17  C1y C    37.0970  -16.4869
            18  C1z C    38.2990  -14.3657
            19  C1y C    35.8949  -15.7798
            20  C1x C    37.0970  -17.8304
            21  C1y C    37.0970  -13.7293
            22  C1a C    38.2283  -13.1636
            23  C1z C    34.6929  -16.4162
            24  C1x C    35.8949  -14.3657
            25  C1x C    35.8949  -18.5375
            26  C1y C    34.6929  -17.8304
            27  C1x C    33.4909  -15.7798
            28  C1a C    34.6929  -15.1435
            29  C1x C    33.4909  -18.5375
            30  C1x C    32.2888  -16.4162
            31  C1y C    32.2888  -17.8304
            32  O1a O    37.0970  -12.3151
            33  C1x C    39.5718  -16.2041
            34  C1x C    40.4202  -15.1435
            35  C1y C    39.6425  -14.0121
            36  C2y C    40.0667  -12.6687
            37  C2x C    41.4102  -12.2444
            38  C7x C    41.4102  -10.8303
            39  O7x O    40.0667  -10.3353
            40  C1x C    39.2182  -11.5374
            41  O7x O    42.5415   -9.9818
            42  O2a O    31.0868  -18.5375
            43  C1y C    29.8847  -17.8304
            44  C1x C    29.8847  -16.4162
            45  C1y C    28.6120  -15.7091
            46  C1y C    27.4100  -16.4162
            47  C1y C    27.4100  -17.8304
            48  O2x O    28.6120  -18.5375
            49  O1a O    28.6120  -14.2950
            50  O2a O    26.2079  -15.7091
            51  C1a C    26.2079  -18.5375
            52  C1a C    21.3123  -15.6990
            53  O2a O    21.3035  -18.5325
            54  O1a O    23.7158  -19.9515
            55  C1y C    16.4369  -14.2793
            56  O2x O    17.6647  -13.5703
            57  C1y C    17.6647  -12.1562
            58  C1y C    16.4399  -11.4491
            59  C1y C    15.2121  -12.1581
            60  C1y C    15.2121  -13.5722
            61  O1a O    13.9688  -11.4398
            62  C1b C    18.8726  -11.4589
            63  O1a O    13.9548  -14.2983
            64  O1a O    16.4400  -10.0525
            65  O1a O    20.0868  -12.1602
            66  O1a O    38.2990  -17.1940
BOND        74
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     3   7 1 #Up
            8     4   8 1 #Up
            9     5   9 1 #Down
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   10  15 1
            16   16  17 1
            17   16  18 1
            18   17  19 1
            19   17  20 1
            20   18  21 1
            21   18  22 1 #Up
            22   19  23 1
            23   19  24 1
            24   20  25 1
            25   23  26 1
            26   23  27 1
            27   23  28 1 #Up
            28   26  29 1
            29   27  30 1
            30   29  31 1
            31   21  24 1
            32   25  26 1
            33   30  31 1
            34   21  32 1 #Up
            35   16  33 1
            36   33  34 1
            37   34  35 1
            38   18  35 1
            39   35  36 1 #Up
            40   36  37 2
            41   37  38 1
            42   38  39 1
            43   39  40 1
            44   36  40 1
            45   38  41 2
            46   43  42 1 #Down
            47   43  44 1
            48   44  45 1
            49   45  46 1
            50   46  47 1
            51   47  48 1
            52   43  48 1
            53   31  42 1 #Up
            54   45  49 1 #Up
            55   46  50 1 #Up
            56   47  51 1 #Down
            57   10  50 1 #Up
            58   12  52 1 #Up
            59   13  53 1 #Down
            60   14  54 1 #Down
            61    1  53 1 #Down
            62   55   8 1 #Up
            63   55  56 1
            64   56  57 1
            65   57  58 1
            66   58  59 1
            67   59  60 1
            68   55  60 1
            69   59  61 1 #Up
            70   57  62 1 #Up
            71   60  63 1 #Down
            72   58  64 1 #Down
            73   62  65 1
            74   16  66 1 #Up


entry: D01241
name: --- - Penflutizide (JAN)
formula: C13H18F3N3O4S2
remark: Therapeutic category: 2132
kcf:
ATOM        25
            1   C8y C    26.3575  -18.4225
            2   C8y C    26.3647  -19.8236
            3   N1x N    25.1548  -20.5303
            4   C1y C    23.9378  -19.8358
            5   N1x N    23.9309  -18.4348
            6   S2x S    25.1406  -17.7281
            7   C8y C    28.7776  -18.4225
            8   C8y C    28.7776  -19.8236
            9   C8x C    27.5613  -20.5242
            10  C8x C    27.5613  -17.7220
            11  C1b C    22.7346  -20.5313
            12  C1b C    21.5246  -19.8377
            13  C1b C    20.3146  -20.5383
            14  C1b C    19.1045  -19.8448
            15  C1a C    17.8945  -20.5454
            16  O3c O    23.9375  -17.0143
            17  O3c O    26.3647  -17.0215
            18  C1d C    29.9947  -20.5170
            19  X   F    31.2117  -21.2106
            20  X   F    29.9317  -21.9181
            21  X   F    31.2117  -19.8165
            22  S4a S    29.9947  -17.7220
            23  N1a N    31.2117  -17.0215
            24  O3c O    30.6788  -18.9114
            25  O3c O    29.2830  -16.4846
BOND        26
            1    11  12 1
            2     6   1 1
            3    12  13 1
            4    13  14 1
            5     1   2 1
            6    14  15 1
            7     2   3 1
            8     6  16 2
            9     3   4 1
            10    6  17 2
            11    7   8 2
            12    8  18 1
            13    8   9 1
            14   18  19 1
            15    9   2 2
            16   18  20 1
            17    1  10 2
            18   18  21 1
            19   10   7 1
            20    7  22 1
            21    4   5 1
            22   22  23 1
            23    4  11 1
            24    5   6 1
            25   22  24 2
            26   22  25 2


entry: D01242
name: --- - Promethazine teoclate (JAN) - Avomine (TN)
formula: C17H20N2S. C7H7ClN4O2
remark: Therapeutic category: 1339
kcf:
ATOM        34
            1   C8y C    30.2443  -17.6964
            2   C8y C    30.2506  -19.0899
            3   N5x N    28.9273  -19.5264
            4   C8y C    28.1034  -18.4026
            5   N4x N    28.9172  -17.2718
            6   C8y C    32.6628  -19.0943
            7   N4y N    31.4535  -19.7945
            8   C8y C    31.4501  -16.9997
            9   N4y N    32.6611  -17.6969
            10  C1a C    33.8790  -16.9939
            11  O5x O    31.4605  -15.5937
            12  O5x O    33.8790  -19.7875
            13  C1a C    31.4605  -21.1947
            14  X   Cl   26.7081  -18.4013
            15  C8y C    21.7358  -19.8545
            16  C8y C    21.7987  -21.2547
            17  C8x C    22.9378  -21.9610
            18  C8x C    24.2240  -21.2670
            19  C8x C    24.2309  -19.8667
            20  C8x C    22.9520  -19.1604
            21  C8y C    19.3172  -19.8474
            22  C8y C    19.3100  -21.2476
            23  S2x S    20.5191  -21.9539
            24  N1y N    20.5334  -19.1533
            25  C8x C    16.8986  -19.8474
            26  C8x C    16.8986  -21.2476
            27  C8x C    18.1141  -21.9477
            28  C8x C    18.1141  -19.1473
            29  C1b C    20.5193  -17.7470
            30  C1c C    21.7287  -17.0398
            31  C1a C    22.9379  -17.7398
            32  N1c N    21.7217  -15.6395
            33  C1a C    22.9310  -14.9324
            34  C1a C    20.5053  -14.9394
BOND        37
            1     7   2 1
            2     1   8 1
            3     8   9 1
            4     9   6 1
            5     3   4 2
            6     9  10 1
            7     4   5 1
            8     8  11 2
            9     5   1 1
            10    6  12 2
            11    7  13 1
            12    4  14 1
            13    1   2 2
            14    2   3 1
            15    6   7 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  15 1
            22   21  22 2
            23   22  23 1
            24   23  16 1
            25   15  24 1
            26   24  21 1
            27   25  26 1
            28   26  27 2
            29   27  22 1
            30   21  28 1
            31   28  25 2
            32   24  29 1
            33   29  30 1
            34   30  31 1
            35   30  32 1
            36   32  33 1
            37   32  34 1


entry: D01243
name: --- - Propitocaine hydrochloride (JAN) - Prilocaine hydrochloride (USP) - Citanest plain (TN)
formula: C13H20N2O. HCl
activity: Anesthetic [local]
remark: Therapeutic category: 1219
comment: Component of Citanest (TN), Citanest octapressin (TN)
kcf:
ATOM        17
            1   C8x C    16.3943  -16.8618
            2   C8x C    16.3943  -18.2644
            3   C8y C    17.6119  -18.9657
            4   C8y C    18.8224  -18.2644
            5   C8x C    18.8224  -16.8618
            6   C8x C    17.6119  -16.1605
            7   N1b N    20.0283  -18.9585
            8   C5a C    21.2396  -18.2572
            9   C1c C    22.4509  -18.9515
            10  N1b N    23.6622  -18.2503
            11  C1b C    24.8736  -18.9444
            12  C1b C    26.0849  -18.2431
            13  C1a C    27.2962  -18.9373
            14  C1a C    17.6685  -20.3682
            15  C1a C    22.4438  -20.3541
            16  O5a O    21.2325  -16.8546
            17  X   Cl   31.3854  -19.1015
BOND        16
            1     7   8 1
            2     1   2 2
            3     8   9 1
            4     2   3 1
            5     9  10 1
            6     3   4 2
            7    10  11 1
            8     4   5 1
            9    11  12 1
            10    5   6 2
            11   12  13 1
            12    6   1 1
            13    3  14 1
            14    9  15 1
            15    4   7 1
            16    8  16 2


entry: D01244
name: --- - Tegafur (JP15/USAN) - Atillon (TN)
formula: C8H9FN2O3
activity: Antineoplastic
remark: Same as: C12673 Therapeutic category: 4223
comment: Component of Ts-1 (TN), Uftoral (TN)
kcf:
ATOM        14
            1   N4y N    26.7513  -17.1768
            2   C8y C    25.5933  -16.4923
            3   C8x C    27.9267  -16.4923
            4   N4x N    25.5933  -15.1351
            5   O5x O    24.4295  -17.1594
            6   C8y C    27.9267  -15.1351
            7   C8y C    26.7513  -14.4622
            8   X   F    29.0849  -14.4622
            9   O5x O    26.7513  -13.1295
            10  C1y C    26.7466  -18.5500
            11  O2x O    25.6068  -19.3722
            12  C1x C    26.0366  -20.7102
            13  C1x C    27.4419  -20.7150
            14  C1x C    27.8808  -19.3799
BOND        15
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 2
            6     4   7 1
            7     6   8 1
            8     7   9 2
            9     6   7 1
            10    1  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   10  14 1


entry: D01245
name: --- - Bromazepam (JP15/USAN) - Lectopam (TN)
formula: C14H12BrN3O
activity: Tranquilizer [minor]
remark: Therapeutic category: 1124
kcf:
ATOM        19
            1   C2y C    14.9734  -15.8294
            2   C8y C    14.1313  -14.7198
            3   C8y C    14.4665  -13.3630
            4   N1x N    15.7275  -12.7849
            5   N2x N    16.3792  -15.8546
            6   C5x C    16.9811  -13.4072
            7   C1x C    17.2676  -14.7759
            8   C8x C    13.4594  -12.3946
            9   C8x C    12.1174  -12.7827
            10  C8y C    11.7822  -14.1395
            11  C8x C    12.7893  -15.1076
            12  O5x O    18.0252  -12.4728
            13  X   Br   10.4174  -14.5339
            14  N4y N    14.3389  -17.0791
            15  C8x C    12.9373  -17.0791
            16  C8x C    12.2373  -18.2916
            17  C8x C    12.9373  -19.5040
            18  C8x C    14.3389  -19.5040
            19  C8x C    15.0389  -18.2916
BOND        21
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    6  12 2
            14   10  13 1
            15    1  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   14  19 2


entry: D01247
name: --- - Ethiazide (JAN)
formula: C9H12ClN3O4S2
remark: Therapeutic category: 2132
kcf:
ATOM        19
            1   C1a C    16.9064  -18.2918
            2   C8y C    21.7560  -18.3144
            3   C8y C    21.7560  -16.9241
            4   N1x N    20.5468  -19.0094
            5   C8x C    22.9711  -19.0094
            6   C8x C    22.9711  -16.2231
            7   S2x S    20.5468  -16.2231
            8   C1y C    19.3375  -18.3144
            9   C8y C    24.1861  -18.3144
            10  C8y C    24.1861  -16.9241
            11  N1x N    19.3375  -16.9241
            12  C1b C    18.1109  -19.0094
            13  X   Cl   25.4070  -19.0094
            14  S4a S    25.4070  -16.2231
            15  N1a N    26.6219  -15.5161
            16  O3c O    26.1080  -17.4380
            17  O3c O    24.7000  -15.0022
            18  O3c O    21.8417  -15.6972
            19  O3c O    19.3892  -15.4397
BOND        20
            1     2   4 1
            2     2   5 1
            3     3   6 1
            4     3   7 1
            5     4   8 1
            6     5   9 2
            7     6  10 2
            8     7  11 1
            9     8  12 1
            10    9  13 1
            11   10  14 1
            12   12   1 1
            13   14  15 1
            14   14  16 2
            15   14  17 2
            16    8  11 1
            17    9  10 1
            18    7  18 2
            19    2   3 2
            20    7  19 2


entry: D01248
name: --- - Acrinol hydrate (JP15) - Ethacridine lactate - Antidiar 200 (TN)
formula: C15H15N3O. C3H6O3. H2O
remark: Therapeutic category: 2619
comment: Component of Acrinol and zinc oxide oil [DR:D05347]
kcf:
ATOM        26
            1   C8x C    23.3990  -16.8047
            2   C1b C    25.8244  -15.4083
            3   O2a O    24.6133  -14.7072
            4   C8y C    23.4007  -15.4054
            5   C8y C    20.9769  -16.8047
            6   C8x C    22.1879  -17.5058
            7   C8x C    22.1913  -14.7072
            8   C8y C    20.9786  -15.4054
            9   C8y C    18.5547  -16.8047
            10  N5x N    19.7659  -17.5058
            11  C8y C    19.7693  -14.7072
            12  C8y C    18.5564  -15.4054
            13  C8x C    16.1326  -15.4026
            14  C8y C    16.1326  -16.8047
            15  C8x C    17.3500  -17.5058
            16  C8x C    17.3500  -14.7014
            17  C1a C    27.0395  -14.7087
            18  N1a N    19.7354  -13.2992
            19  N1a N    14.9144  -17.4987
            20  C1a C    30.6500  -15.7308
            21  C1c C    31.8611  -15.0297
            22  C6a C    33.0722  -15.7238
            23  O6a O    34.2832  -15.0227
            24  O1a O    31.8539  -13.6274
            25  O6a O    33.0651  -17.1260
            26  O0  O    27.5800  -17.6400
BOND        26
            1    11  12 2
            2    12   9 1
            3     3   4 1
            4     5   6 1
            5     6   1 2
            6     4   7 2
            7    13  14 1
            8    14  15 2
            9    15   9 1
            10   12  16 1
            11   16  13 2
            12    7   8 1
            13    2  17 1
            14    8   5 2
            15   11  18 1
            16    4   1 1
            17   14  19 1
            18    2   3 1
            19    9  10 2
            20   10   5 1
            21    8  11 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   21  24 1
            26   22  25 2


entry: D01249
name: --- - Flucloxacillin sodium (JAN) - Floxapen (TN)
formula: C19H16ClFN3O5S. Na. H2O
activity: Antibacterial
remark: Therapeutic category: 6111
comment: penicillinase-resistant penicillin
kcf:
ATOM        32
            1   C1y C    27.5483  -14.8950
            2   C5x C    27.5483  -16.2592
            3   N1y N    28.9125  -16.2592
            4   C1y C    28.9125  -14.8950
            5   C1y C    30.2085  -16.6684
            6   C1z C    31.0270  -15.5771
            7   S2x S    30.2085  -14.4858
            8   C1a C    31.9819  -16.5320
            9   C1a C    31.9819  -14.6222
            10  C6a C    30.6859  -18.0326
            11  O0  O    32.0501  -18.0326 #-
            12  O6a O    29.8674  -19.1240
            13  N1b N    26.3888  -14.2129
            14  C5a C    25.2292  -14.8950
            15  O5x O    26.3888  -16.9413
            16  O5a O    25.2292  -16.2592
            17  C8y C    24.0015  -14.2129
            18  C8y C    24.0015  -12.8488
            19  O2x O    22.7040  -12.4272
            20  N5x N    21.9022  -13.5308
            21  C8y C    22.7040  -14.6345
            22  C8y C    22.7040  -17.2264
            23  C8y C    21.5291  -17.9048
            24  C8x C    21.5290  -19.2690
            25  C8x C    22.7104  -19.9510
            26  C8x C    23.8854  -19.2728
            27  C8y C    23.8854  -17.9086
            28  C1a C    25.1051  -12.0469
            29  X   Cl   20.3568  -17.2278
            30  X   F    25.0568  -17.2321
            31  Z   Na   33.6189  -18.1008 #+
            32  O0  O    33.8917  -19.8743
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 2
            18   14  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 1
            22   20  21 2
            23   17  21 1
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   22  27 1
            31   18  28 1
            32   23  29 1
            33   27  30 1


entry: D01250
name: --- - Berberine chloride (JP15) - Kyoberin (TN)
formula: C20H18NO4. Cl. xH2O
remark: Therapeutic category: 2314
comment: Component of Phelloberin A (TN)
kcf:
ATOM        27
            1   C8y C    23.5948  -15.4046
            2   C8y C    23.5948  -16.8055
            3   C8x C    24.8079  -17.5059
            4   C8y C    26.0211  -16.8055
            5   C8y C    26.0211  -15.4046
            6   C8x C    24.8079  -14.7042
            7   C8y C    27.2343  -17.5059
            8   N5y N    28.4474  -16.8055 #+
            9   C1x C    28.4474  -15.4046
            10  C1x C    27.2343  -14.7042
            11  C8x C    27.2343  -18.9068
            12  C8y C    28.4474  -19.6072
            13  C8y C    29.6607  -18.9068
            14  C8x C    29.6607  -17.5059
            15  C8x C    28.4474  -21.0081
            16  C8x C    29.6607  -21.7085
            17  C8y C    30.8738  -21.0081
            18  C8y C    30.8738  -19.6072
            19  O2x O    22.2624  -14.9718
            20  C1x C    21.4390  -16.1051
            21  O2x O    22.2624  -17.2384
            22  O2a O    32.0911  -18.9045
            23  C1a C    33.2893  -19.5964
            24  O2a O    32.0911  -21.7108
            25  C1a C    33.2893  -21.0189
            26  X   Cl   30.7393  -16.7354 #-
            27  O0  O    34.7900  -16.7300
BOND        29
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    7  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    8  14 2
            17   12  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21   13  18 1
            22    1  19 1
            23   19  20 1
            24   20  21 1
            25    2  21 1
            26   18  22 1
            27   22  23 1
            28   17  24 1
            29   24  25 1


entry: D01251
name: --- - Ampicillin hydrate (JP15) - Ampicillin trihydrate - Amcill (TN)
formula: C16H19N3O4S. 3H2O
remark: Same as: C12680 Therapeutic category: 6131
comment:
Component of Combipenix (TN), Viccillin S (TN) semisynthetic penicillin: moderate spectrum penicillin

kcf:
ATOM        27
            1   C1y C    25.9451  -14.8660
            2   C5x C    25.9451  -16.2704
            3   N1y N    27.3495  -16.2704
            4   C1y C    27.3495  -14.8660
            5   C1y C    28.6836  -16.6916
            6   C1z C    29.5261  -15.5681
            7   S2x S    28.6836  -14.4446
            8   C1a C    30.5093  -16.5512
            9   C1a C    30.5093  -14.5850
            10  C6a C    29.1751  -18.0257
            11  O6a O    30.5794  -18.0257
            12  O6a O    28.3324  -19.1492
            13  N1b N    24.7514  -14.1638
            14  C5a C    23.5577  -14.8660
            15  O5x O    24.7514  -16.9725
            16  O5a O    23.5577  -16.2704
            17  C1c C    22.3386  -14.1687
            18  C8y C    21.1466  -14.8637
            19  N1a N    22.3386  -12.7679
            20  C8x C    19.9334  -14.1633
            21  C8x C    18.7203  -14.8637
            22  C8x C    18.7203  -16.2645
            23  C8x C    19.9334  -16.9649
            24  C8x C    21.1466  -16.2645
            25  O0  O    35.5115  -16.1114
            26  O0  O    35.5115  -16.1114
            27  O0  O    35.5115  -16.1114
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 2
            18   14  17 1
            19   17  18 1
            20   17  19 1 #Up
            21   18  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   18  24 1


entry: D01252
name: --- - Alclofenac (JAN/USP) - Mervan (TN)
formula: C11H11ClO3
activity: Anti-inflammatory
remark: Therapeutic category: 1147
kcf:
ATOM        15
            1   C8y C    20.5762  -16.6350
            2   C8y C    20.5762  -18.0351
            3   C8x C    21.7917  -18.7352
            4   C8y C    23.0001  -18.0351
            5   C8x C    23.0001  -16.6350
            6   C8x C    21.7917  -15.9349
            7   C1b C    24.2130  -18.7342
            8   O2a O    19.3639  -15.9342
            9   X   Cl   19.3639  -18.7357
            10  C1b C    18.1509  -16.6336
            11  C2b C    16.9388  -15.9330
            12  C2a C    15.7259  -16.6324
            13  C6a C    25.4251  -18.0332
            14  O6a O    26.6382  -18.7325
            15  O6a O    25.4241  -16.6331
BOND        15
            1     1   2 2
            2     1   8 1
            3     2   3 1
            4     2   9 1
            5     3   4 2
            6     8  10 1
            7     4   5 1
            8    10  11 1
            9     5   6 2
            10   11  12 2
            11    6   1 1
            12    7  13 1
            13   13  14 1
            14    4   7 1
            15   13  15 2


entry: D01253
name: --- - Clobazam (JAN/USAN) - Mystan (TN)
formula: C16H13ClN2O2
activity: Tranquilizer [minor]
remark: Therapeutic category: 1139
kcf:
ATOM        21
            1   C5x C    22.2395  -14.8114
            2   C1x C    21.3922  -13.6387
            3   C5x C    21.7314  -12.3645
            4   N1y N    22.9748  -11.7601
            5   N1y N    23.6325  -14.8620
            6   C8y C    24.2743  -12.3962
            7   C8y C    24.5368  -13.7185
            8   C8x C    25.8647  -14.1030
            9   C8y C    26.9300  -13.1653
            10  C8x C    26.6139  -11.7976
            11  C8x C    25.2861  -11.4131
            12  X   Cl   28.2579  -13.5498
            13  O5x O    21.6487  -16.0574
            14  C8y C    24.2821  -15.9816
            15  C8x C    23.6460  -17.2811
            16  C8x C    24.2956  -18.4708
            17  C8x C    25.7422  -18.4966
            18  C8x C    26.4319  -17.2422
            19  C8x C    25.7286  -15.9373
            20  C1a C    22.9553  -10.3672
            21  O5x O    20.6580  -11.4601
BOND        23
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    6  11 2
            13    9  12 1
            14    1  13 2
            15    5  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22    4  20 1
            23    3  21 2


entry: D01254
name: --- - Tofisopam (JP15) - Emandaxin (TN)
formula: C22H26N2O4
remark: Therapeutic category: 1124
kcf:
ATOM        28
            1   C2y C    29.4618  -15.1158
            2   C8y C    28.6220  -14.0661
            3   C8y C    28.9719  -12.6665
            4   C1y C    30.2316  -12.1066
            5   N2x N    30.8614  -15.1158
            6   C2y C    31.4912  -12.7364
            7   N2x N    31.7711  -14.0661
            8   C8x C    27.9922  -11.6867
            9   C8y C    26.5926  -12.1066
            10  C8y C    26.3127  -13.4362
            11  C8x C    27.2924  -14.4160
            12  C1a C    32.5409  -11.7567
            13  C8y C    28.8319  -16.3754
            14  C8x C    27.4323  -16.3754
            15  C1b C    30.2316  -10.7070
            16  C1a C    31.4912  -10.0072
            17  O2a O    25.6128  -11.1269
            18  C1a C    24.2832  -11.5468
            19  C1a C    23.9333  -12.8764
            20  O2a O    24.9130  -13.8561
            21  C8y C    26.7325  -17.6351
            22  C8y C    27.4323  -18.8247
            23  C8x C    28.8319  -18.8247
            24  C8x C    29.5318  -17.6351
            25  O2a O    25.3329  -17.6351
            26  C1a C    24.6331  -18.8247
            27  C1a C    25.3329  -20.0144
            28  O2a O    26.7325  -20.0144
BOND        30
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 2
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    6  12 1
            14    1  13 1
            15   13  14 1
            16    4  15 1
            17   15  16 1
            18    9  17 1
            19   17  18 1
            20   19  20 1
            21   10  20 1
            22   14  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   13  24 2
            27   21  25 1
            28   25  26 1
            29   27  28 1
            30   22  28 1


entry: D01255
name: --- - Benfotiamine (JAN) - Biotamin (TN)
formula: C19H23N4O6PS
remark: Therapeutic category: 3122
comment: Component of Vitamedin (TN), Vitamedin-S (TN)
kcf:
ATOM        31
            1   C8y C    15.1639  -17.0245
            2   N5x N    15.1639  -15.6245
            3   C8x C    16.3793  -14.9245
            4   C8y C    17.5875  -15.6245
            5   C8y C    17.5875  -17.0245
            6   N5x N    16.3793  -17.7245
            7   C1b C    18.8005  -14.9255
            8   N1c N    20.0125  -15.6264
            9   C2c C    21.2256  -14.9272
            10  C4a C    20.0115  -17.0264
            11  C2c C    22.4374  -15.6282
            12  C1a C    21.2266  -13.5272
            13  S2a S    23.6504  -14.9291
            14  C1b C    22.4364  -17.0282
            15  C1b C    23.6484  -17.7291
            16  O2b O    23.6474  -19.1291
            17  P1b P    23.6815  -20.5317
            18  O3b O    25.0815  -20.5317
            19  O1c O    22.2814  -20.5317
            20  O1c O    23.6743  -21.9317
            21  C5a C    24.8624  -15.6299
            22  C8y C    26.0753  -14.9309
            23  O5a O    24.8612  -17.0299
            24  C8x C    26.0751  -13.5316
            25  C8x C    27.2881  -12.8326
            26  C8x C    28.5001  -13.5334
            27  C8x C    28.4991  -14.9335
            28  C8x C    27.2861  -15.6326
            29  C1a C    13.9519  -17.7252
            30  O4a O    21.2234  -17.7272
            31  N1a N    18.8005  -17.7237
BOND        32
            1     1   2 1
            2    15  16 1
            3     7   8 1
            4    16  17 1
            5     2   3 2
            6    17  18 2
            7     8   9 1
            8    17  19 1
            9     3   4 1
            10   17  20 1
            11    8  10 1
            12   13  21 1
            13    4   5 2
            14   21  22 1
            15    9  11 2
            16   21  23 2
            17    5   6 1
            18    9  12 1
            19    6   1 2
            20   11  13 1
            21   22  24 2
            22   24  25 1
            23   25  26 2
            24   26  27 1
            25   27  28 2
            26   28  22 1
            27   11  14 1
            28    1  29 1
            29    4   7 1
            30   10  30 2
            31   14  15 1
            32    5  31 1


entry: D01256
name: --- - Cyclothiazide (JAN/USAN) - Anhydron (TN)
formula: C14H16ClN3O4S2
activity: Diuretic; Antihypertensive
remark: Same as: C12685 Therapeutic category: 2132
kcf:
ATOM        24
            1   C1y C    20.9453  -15.6234
            2   C1x C    20.2937  -14.6499
            3   C1y C    22.1591  -16.2682
            4   C2x C    19.5218  -15.8637
            5   C1y C    20.2937  -16.7115
            6   C1x C    21.5143  -17.6033
            7   C2x C    18.8326  -17.1160
            8   C8y C    25.6166  -14.2725
            9   C8y C    25.6108  -15.5892
            10  C8x C    26.7629  -13.6200
            11  S2x S    24.4758  -13.6142
            12  C8x C    26.7459  -16.2533
            13  N1x N    24.4758  -16.2475
            14  C8y C    27.8980  -14.2839
            15  N1x N    23.3350  -14.2725
            16  O3c O    23.2045  -12.8140
            17  O3c O    25.6733  -12.8140
            18  C8y C    27.9622  -15.6005
            19  C1y C    23.3350  -15.5892
            20  S4a S    29.0443  -13.6313
            21  X   Cl   29.1031  -16.2646
            22  N1a N    30.2589  -12.8198
            23  O3c O    30.1340  -14.6188
            24  O3c O    28.0002  -12.6154
BOND        27
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     3   6 1
            5     4   7 2
            6     5   6 1
            7     5   7 1
            8     1   2 1
            9     8   9 2
            10    8  10 1
            11    8  11 1
            12    9  12 1
            13    9  13 1
            14   10  14 2
            15   11  15 1
            16   11  16 2
            17   11  17 2
            18   12  18 2
            19   13  19 1
            20   14  20 1
            21   18  21 1
            22   20  22 1
            23   20  23 2
            24   20  24 2
            25   14  18 1
            26   15  19 1
            27   19   3 1


entry: D01257
name: --- - Siccanin (JP15) - Siccanin (TN)
formula: C22H30O3
remark: Therapeutic category: 2656
kcf:
ATOM        25
            1   C8x C    27.8848  -17.2542
            2   C8y C    27.8909  -15.8630
            3   C8x C    26.6864  -15.1619
            4   C8y C    26.6739  -17.9444
            5   C8y C    25.4764  -17.2434
            6   C8y C    25.4886  -15.8523
            7   O2x O    24.2898  -15.1461
            8   C1y C    24.2655  -17.9285
            9   C1y C    23.0668  -17.2223
            10  C1z C    23.0855  -15.8348
            11  C1x C    21.8933  -15.1248
            12  C1x C    20.6824  -15.8024
            13  C1z C    21.8559  -17.8999
            14  C1y C    20.6702  -17.1871
            15  C1z C    19.4603  -17.8575
            16  C1x C    19.4358  -19.2405
            17  C1x C    21.8313  -19.2830
            18  C1x C    22.2196  -19.2525
            19  O2x O    23.9058  -19.2811
            20  C1a C    23.1053  -14.4503
            21  O1a O    26.6660  -19.3356
            22  C1a C    29.0985  -15.1721
            23  C1x C    20.6281  -19.9574
            24  C1a C    19.0879  -16.5043
            25  C1a C    18.1041  -18.2117
BOND        29
            1    12  14 1
            2    13   9 1
            3     2   3 1
            4     3   6 2
            5     5   6 1
            6     6   7 1
            7     7  10 1
            8    13  14 1
            9    14  15 1
            10   15  16 1
            11   17  13 1
            12    9   8 1
            13   13  18 1
            14    8   5 1
            15    8  19 1
            16   19  18 1
            17    5   4 2
            18   10  20 1
            19    4   1 1
            20    4  21 1
            21    2  22 1
            22    1   2 2
            23   17  23 1
            24    9  10 1
            25   16  23 1
            26   10  11 1
            27   15  24 1
            28   11  12 1
            29   15  25 1


entry: D01258
name: --- - Iotalamic acid (JP15) - Iothalamic acid (USP)
formula: C11H9I3N2O4
activity: Diagnostic aid [radiopaque medium]
remark: Therapeutic category: 7211
kcf:
ATOM        20
            1   C8y C    24.3139  -16.3663
            2   C8y C    24.3211  -17.7663
            3   C8y C    23.1122  -18.4724
            4   C8y C    21.8961  -17.7785
            5   C8y C    21.8892  -16.3785
            6   C8y C    23.0979  -15.6724
            7   X   I    20.6731  -15.6846
            8   X   I    23.1191  -19.8724
            9   X   I    25.5229  -15.6602
            10  C6a C    23.0910  -14.2724
            11  O6a O    21.8749  -13.5786
            12  O6a O    24.2999  -13.5663
            13  C5a C    20.6872  -18.4846
            14  O5a O    20.6943  -19.8846
            15  N1b N    19.4714  -17.7907
            16  C1a C    18.2624  -18.4968
            17  N1b N    25.5369  -18.4602
            18  C5a C    26.7458  -17.7539
            19  C1a C    27.9617  -18.4478
            20  O5a O    26.7387  -16.3541
BOND        20
            1     6  10 1
            2     4   5 1
            3    10  11 2
            4     5   6 2
            5    10  12 1
            6     6   1 1
            7     4  13 1
            8    13  14 2
            9     5   7 1
            10   13  15 1
            11    1   2 2
            12   15  16 1
            13    3   8 1
            14    2  17 1
            15    2   3 1
            16   17  18 1
            17    1   9 1
            18   18  19 1
            19    3   4 2
            20   18  20 2


entry: D01259
name: --- - Flopropione (JP15) - Ephtanon (TN)
formula: C9H10O4
remark: Therapeutic category: 1249
kcf:
ATOM        13
            1   C8y C    21.6504  -17.4084
            2   C8x C    21.6504  -18.8086
            3   C8y C    22.8659  -19.5087
            4   C8x C    24.0743  -18.8086
            5   C8y C    24.0743  -17.4084
            6   C8y C    22.8659  -16.7083
            7   O1a O    20.4382  -16.7077
            8   O1a O    25.2874  -16.7092
            9   O1a O    22.8676  -20.9088
            10  C5a C    22.8676  -15.3082
            11  C1b C    24.0811  -14.6096
            12  O5a O    21.6560  -14.6066
            13  C1a C    25.2929  -15.3112
BOND        13
            1     1   7 1
            2     1   2 2
            3     5   8 1
            4     2   3 1
            5     3   9 1
            6     3   4 2
            7     6  10 1
            8     4   5 1
            9    10  11 1
            10    5   6 2
            11   10  12 2
            12    6   1 1
            13   11  13 1


entry: D01260
name: --- - Pentoxyverine citrate (JP15) - Carbetapentane citrate - Astomatop (TN)
formula: C20H31NO3. C6H8O7
remark: Therapeutic category: 2224
kcf:
ATOM        37
            1   C8x C    13.0250  -10.6390
            2   C8y C    13.7188  -11.8495
            3   C8x C    15.1139  -11.8539
            4   C8x C    15.8154  -10.6480
            5   C8x C    15.1216   -9.4376
            6   C8x C    13.7265   -9.4330
            7   C1z C    13.0141  -13.0611
            8   C7a C    14.2246  -13.7619
            9   O7a O    15.4350  -13.0611
            10  C1b C    16.6455  -13.7619
            11  C1b C    17.8559  -13.0611
            12  O2a O    19.0663  -13.7619
            13  C1b C    20.2768  -13.0611
            14  C1b C    21.4872  -13.7619
            15  N1c N    22.6977  -13.0611
            16  C1b C    23.9081  -13.7619
            17  C1a C    25.1186  -13.0611
            18  C1x C    12.5778  -14.3932
            19  C1x C    11.8771  -12.2341
            20  C1x C    10.7402  -13.0611
            21  C1x C    11.1763  -14.3932
            22  O7a O    14.2246  -15.1635
            23  C1b C    22.6977  -11.6596
            24  C1a C    23.9115  -10.9588
            25  C1d C    33.0050  -12.4974
            26  C1b C    31.7923  -13.1945
            27  C1b C    34.2176  -13.1885
            28  C6a C    33.6962  -11.2788
            29  O1a O    32.2960  -11.2788
            30  C6a C    30.5854  -12.5032
            31  C6a C    34.2059  -14.5887
            32  O6a O    32.9873  -10.0604
            33  O6a O    35.1022  -11.2788
            34  O6a O    29.3729  -13.2062
            35  O6a O    30.5737  -11.1032
            36  O6a O    35.4185  -15.2917
            37  O6a O    32.9873  -15.2858
BOND        37
            1     1   2 2
            2     8   9 1
            3     2   3 1
            4    18   7 1
            5     7  19 1
            6    19  20 1
            7    20  21 1
            8    21  18 1
            9     9  10 1
            10    8  22 2
            11    3   4 2
            12   15  23 1
            13   10  11 1
            14   23  24 1
            15    4   5 1
            16   11  12 1
            17    5   6 2
            18   12  13 1
            19    6   1 1
            20   13  14 1
            21   14  15 1
            22    2   7 1
            23   15  16 1
            24   16  17 1
            25    7   8 1
            26   25  26 1
            27   25  27 1
            28   25  28 1
            29   25  29 1
            30   26  30 1
            31   27  31 1
            32   28  32 1
            33   28  33 2
            34   30  34 1
            35   30  35 2
            36   31  36 1
            37   31  37 2


entry: D01261
name: --- - Fluorescein (JAN/USP) - Fluorescite (TN)
formula: C20H12O5
activity: Diagnostic aid [corneal trauma indicator]
remark: Therapeutic category: 7290
kcf:
ATOM        25
            1   C1z C    31.3198  -15.2917
            2   C7x C    32.4993  -17.2255
            3   O7x O    32.6105  -15.8327
            4   C8y C    30.1042  -14.5953
            5   C8y C    32.5388  -14.6012
            6   C8y C    30.1099  -13.1861
            7   C8x C    28.8985  -15.2878
            8   C8y C    32.5505  -13.1977
            9   C8x C    33.7619  -15.2878
            10  C8x C    28.8985  -12.4750
            11  O2x O    31.3331  -12.4807
            12  C8x C    27.6752  -14.5953
            13  C8x C    33.7735  -12.4983
            14  C8x C    34.9735  -14.6186
            15  C8y C    27.6752  -13.1861
            16  C8y C    34.9851  -13.2210
            17  C8y C    31.1401  -17.5482
            18  C8y C    30.4172  -16.3573
            19  C8x C    29.0269  -16.3853
            20  C8x C    28.3595  -17.6042
            21  C8x C    29.0755  -18.7952
            22  C8x C    30.4656  -18.8372
            23  O7x O    33.5636  -18.1310
            24  O1a O    26.4692  -12.4836
            25  O1a O    36.2050  -12.5305
BOND        29
            1    13  16 2
            2     8  11 1
            3    12  15 1
            4    14  16 1
            5     2   3 1
            6     3   1 1
            7     1  18 1
            8    17   2 1
            9     1   4 1
            10   17  18 2
            11   18  19 1
            12   19  20 2
            13   20  21 1
            14   21  22 2
            15   22  17 1
            16    1   5 1
            17    2  23 2
            18    4   6 2
            19   15  24 1
            20    4   7 1
            21   16  25 1
            22    5   8 2
            23    5   9 1
            24    6  10 1
            25    6  11 1
            26    7  12 2
            27    8  13 1
            28    9  14 2
            29   10  15 2


entry: D01262
name: --- - Cefacetrile sodium (JAN) - Cephacetrile sodium (USAN) - Celtol (TN) - CEC
formula: C13H12N3O6S. Na
activity: Antibacterial
remark: Same as: C12691 Therapeutic category: 6132
comment: semisynthetic cephalosporin: narrow spectrum cephalosporin
kcf:
ATOM        24
            1   C1y C    27.1957  -14.2175
            2   N1y N    27.1957  -15.6192
            3   C2y C    28.4096  -16.3200
            4   C2y C    29.6236  -15.6192
            5   C1x C    29.6236  -14.2175
            6   S2x S    28.4096  -13.5166
            7   C1y C    25.7940  -14.2175
            8   C5x C    25.7940  -15.6192
            9   N1b N    24.5801  -13.5166
            10  C5a C    23.3661  -14.2175
            11  O5a O    23.3661  -15.6192
            12  O5x O    24.5801  -16.3200
            13  C1b C    22.1523  -13.5166
            14  C3b C    20.9384  -14.2175
            15  C1b C    30.8562  -16.3311
            16  O7a O    32.0628  -15.6345
            17  C7a C    33.2466  -16.3181
            18  C1a C    34.4421  -15.6280
            19  O7a O    33.2466  -17.7216
            20  C6a C    28.4096  -17.7216
            21  O6a O    27.1789  -18.4323
            22  O0  O    29.6066  -18.4128 #-
            23  N3a N    19.7244  -14.9183
            24  Z   Na   31.0100  -18.4100 #+
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15   13  14 1
            16    4  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 2
            21    3  20 1
            22   20  21 2
            23   20  22 1
            24   14  23 3


entry: D01263
name: --- - Ritodrine hydrochloride (JP15/USP) - Yutopar (TN)
formula: C17H21NO3. HCl
activity: Relaxant [smooth muscle]
remark: Therapeutic category: 2590
kcf:
ATOM        22
            1   C8y C    20.4874  -19.0182
            2   C1c C    21.6758  -19.7172
            3   C8x C    20.4874  -17.5501
            4   C8x C    19.2990  -19.7172
            5   C1c C    22.9341  -19.0182
            6   O1a O    21.6758  -21.1153
            7   C8x C    19.2990  -16.8511
            8   C8x C    18.0406  -18.9483
            9   N1b N    24.1225  -19.7172
            10  C1a C    22.9341  -17.6200
            11  C8y C    18.0407  -17.5501
            12  C1b C    25.3109  -19.0182
            13  O1a O    16.8523  -16.8511
            14  C1b C    26.5692  -19.7172
            15  C8y C    27.7576  -19.0182
            16  C8x C    27.7576  -17.6200
            17  C8x C    28.9460  -19.7172
            18  C8x C    28.9460  -16.9210
            19  C8x C    30.1344  -19.0182
            20  C8y C    30.1344  -17.6200
            21  O1a O    31.3927  -16.9210
            22  X   Cl   34.7482  -19.6473
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Down
            10    7  11 1
            11    9  12 1
            12   11  13 1
            13   12  14 1
            14   14  15 1
            15   15  16 2
            16   15  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   20  21 1
            21    8  11 2
            22   19  20 1


entry: D01264
name: --- - Daunorubicin hydrochloride (JP15/USP) - Cerubidine (TN)
formula: C27H29NO10. HCl
activity: Antineoplastic
remark: Therapeutic category: 4235
kcf:
ATOM        39
            1   C8x C     2.1027   -6.0215
            2   C8x C     2.1027   -7.4219
            3   C8y C     3.2931   -8.1221
            4   C8y C     4.5535   -7.4219
            5   C8y C     4.5535   -6.0215
            6   C8x C     3.2931   -5.3213
            7   C5x C     5.7438   -8.1221
            8   C8y C     6.9342   -7.4219
            9   C8y C     6.9342   -6.0215
            10  C5x C     5.7438   -5.3213
            11  C8y C     8.1945   -8.1221
            12  C8y C     9.3850   -7.4219
            13  C8y C     9.3850   -6.0215
            14  C8y C     8.1945   -5.3213
            15  C1y C    10.5753   -8.1221
            16  C1x C    11.8357   -7.4219
            17  C1z C    11.8357   -6.0215
            18  C1x C    10.5753   -5.3213
            19  O2a O     3.2931   -9.5225
            20  C1a C     2.1027  -10.2227
            21  O5x O     5.7438   -9.5225
            22  O5x O     5.7438   -3.9209
            23  O1a O     8.1945   -3.9209
            24  O1a O     8.1945   -9.5225
            25  O2a O    10.5753   -9.5225
            26  C1y C    11.7657  -10.2227
            27  C5a C    13.0261   -5.3213
            28  C1a C    14.2164   -6.0215
            29  O5a O    13.0261   -3.9209
            30  O1a O    13.0261   -6.9317
            31  C1x C    11.7657  -11.6232
            32  C1y C    13.0261  -12.3234
            33  C1y C    14.2164  -11.6232
            34  C1y C    14.2164  -10.2227
            35  O2x O    13.0261   -9.5225
            36  N1a N    13.0433  -13.7237
            37  C1a C    15.4321   -9.5274
            38  O1a O    15.4255  -12.3147
            39  X   Cl    6.4402  -11.8302
BOND        42
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   12  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   13  18 1
            22    3  19 1
            23   19  20 1
            24    7  21 2
            25   10  22 2
            26   14  23 1
            27   11  24 1
            28   26  25 1 #Down
            29   15  25 1 #Down
            30   17  27 1 #Up
            31   27  28 1
            32   27  29 2
            33   17  30 1 #Down
            34   26  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   26  35 1
            40   32  36 1 #Up
            41   34  37 1 #Up
            42   33  38 1 #Up


entry: D01265
name: --- - Epitiostanol (JAN)
formula: C19H30OS
remark: Therapeutic category: 2499
kcf:
ATOM        21
            1   C1y C     7.0000  -15.6100
            2   C1y C     7.0000  -17.0100
            3   C1x C     8.2124  -17.7100
            4   C1y C     9.4249  -17.0100
            5   C1z C     9.4249  -15.6100
            6   C1x C     8.2124  -14.9100
            7   C1x C    10.6373  -17.7100
            8   C1x C    11.8497  -17.0100
            9   C1y C    11.8497  -15.6100
            10  C1y C    10.6373  -14.9100
            11  C1y C    13.0622  -14.9100
            12  C1z C    13.0622  -13.5100
            13  C1x C    11.8497  -12.8100
            14  C1x C    10.6373  -13.5100
            15  C1x C    14.3937  -15.3426
            16  C1x C    15.2166  -14.2100
            17  C1y C    14.3937  -13.0774
            18  S2x S     5.7876  -16.3100
            19  C1a C     9.4249  -14.2100
            20  C1a C    13.0622  -12.1100
            21  O1a O    14.8251  -11.7499
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    1  18 1 #Down
            22    2  18 1 #Down
            23    5  19 1 #Up
            24   12  20 1 #Up
            25   17  21 1 #Up


entry: D01266
name: --- - Difluprednate (JAN/USAN)
formula: C27H34F2O7
activity: Anti-inflammatory
remark: Therapeutic category: 2646
kcf:
ATOM        36
            1   C1z C    23.2566  -15.7189
            2   C1z C    22.0669  -16.3838
            3   C1x C    24.4349  -16.4188
            4   C5a C    23.2800  -14.0508
            5   O7a O    24.4523  -15.0131
            6   C1y C    22.0435  -17.7543
            7   C1x C    20.8770  -15.6956
            8   C1a C    22.0552  -14.9899
            9   C1x C    24.4173  -17.7894
            10  C1b C    22.0900  -13.3392
            11  O5a O    24.4930  -13.3742
            12  C7a C    25.8345  -15.0131
            13  C1y C    20.8536  -18.4252
            14  C1y C    19.6930  -16.3605
            15  O7a O    20.8829  -14.0274
            16  C1b C    26.5170  -13.8174
            17  O7a O    26.5286  -16.2147
            18  C1z C    19.6813  -17.7369
            19  C1x C    20.8536  -19.7900
            20  O1a O    18.5032  -15.6839
            21  C7a C    19.6813  -13.3334
            22  C1b C    27.8992  -13.8174
            23  C1z C    18.4916  -18.4135
            24  X   F    19.6696  -19.0958
            25  C1y C    19.6696  -20.4723
            26  C1a C    18.4857  -14.0274
            27  O7a O    19.6756  -11.9453
            28  C2y C    18.4857  -19.7840
            29  C2x C    17.3076  -17.7310
            30  C2x C    17.3076  -20.4665
            31  C2x C    16.1293  -18.4135
            32  C5x C    16.1293  -19.7840
            33  O5x O    14.9396  -20.4606
            34  X   F    19.6669  -21.8677
            35  C1a C    18.4784  -17.0159
            36  C1a C    28.5969  -12.6089
BOND        39
            1     1   4 1 #Up
            2     1   5 1 #Down
            3     2   6 1
            4     2   7 1
            5     2   8 1 #Up
            6     3   9 1
            7     4  10 1
            8     4  11 2
            9     5  12 1
            10    6  13 1
            11    7  14 1
            12   10  15 1
            13   12  16 1
            14   12  17 2
            15   13  18 1
            16   13  19 1
            17   14  20 1 #Up
            18   15  21 1
            19   16  22 1
            20   18  23 1
            21   18  24 1 #Down
            22   19  25 1
            23   21  26 1
            24   21  27 2
            25   23  28 1
            26   23  29 1
            27   28  30 2
            28   29  31 2
            29   30  32 1
            30   32  33 2
            31    6   9 1
            32   14  18 1
            33   25  28 1
            34   31  32 1
            35   25  34 1 #Down
            36    1   2 1
            37   23  35 1 #Up
            38    1   3 1
            39   22  36 1


entry: D01267
name: --- - Floctafenine (JAN/USAN) - Idarac (TN)
formula: C20H17F3N2O4
activity: Analgesic
remark: Therapeutic category: 1149
kcf:
ATOM        29
            1   C8y C    19.8368  -17.4475
            2   C8y C    21.0534  -16.7514
            3   C8y C    18.6260  -16.7456
            4   C8x C    19.8309  -18.8455
            5   N1b N    22.2643  -17.4533
            6   C8x C    21.0594  -15.3534
            7   C8y C    17.4094  -17.4416
            8   N5x N    18.6318  -15.3417
            9   C8x C    18.6201  -19.5416
            10  C8y C    23.4693  -16.7573
            11  C8x C    19.8485  -14.6457
            12  C8x C    17.4094  -18.8455
            13  C8y C    24.6859  -17.4533
            14  C8x C    23.4576  -15.3592
            15  C8x C    25.8910  -16.7456
            16  C8x C    24.6685  -14.6515
            17  C8x C    25.8851  -15.3475
            18  C1d C    16.1989  -16.7395
            19  X   F    16.2016  -15.3400
            20  X   F    14.9855  -17.4368
            21  X   F    14.9767  -16.0343
            22  C7a C    24.6939  -18.8528
            23  O7a O    23.4860  -19.5593
            24  O7a O    25.9098  -19.5455
            25  C1b C    27.1178  -18.8390
            26  C1c C    28.3337  -19.5318
            27  C1b C    29.5418  -18.8251
            28  O1a O    30.7578  -19.5181
            29  O1a O    28.3417  -20.9313
BOND        31
            1    10  13 1
            2    10  14 2
            3    13  15 2
            4    14  16 1
            5    15  17 1
            6     8  11 2
            7     9  12 1
            8    16  17 2
            9     7  18 1
            10    1   2 1
            11   18  19 1
            12    1   3 2
            13   18  20 1
            14    1   4 1
            15   18  21 1
            16    2   5 1
            17   13  22 1
            18    2   6 2
            19   22  23 2
            20    3   7 1
            21   22  24 1
            22    3   8 1
            23   24  25 1
            24    4   9 2
            25   25  26 1
            26    5  10 1
            27   26  27 1
            28    6  11 1
            29   27  28 1
            30    7  12 2
            31   26  29 1


entry: D01268
name: --- - Cloxazolam (JP15) - Sepazon (TN)
formula: C17H14Cl2N2O2
remark: Therapeutic category: 1124
kcf:
ATOM        23
            1   C1z C    29.3673  -18.9577
            2   C8y C    28.5306  -17.8552
            3   C8y C    28.8637  -16.5071
            4   N1x N    30.1166  -15.9327
            5   N1y N    30.7641  -18.9827
            6   C5x C    31.3621  -16.5510
            7   C1x C    31.6468  -17.9110
            8   C8x C    27.8630  -15.5449
            9   C8x C    26.5296  -15.9306
            10  C8y C    26.1966  -17.2786
            11  C8x C    27.1972  -18.2405
            12  O5x O    32.3995  -15.6226
            13  X   Cl   24.8406  -17.6705
            14  O2x O    28.9118  -20.2784
            15  C1x C    30.0272  -21.1197
            16  C1x C    31.1719  -20.3189
            17  C8y C    27.6759  -19.6654
            18  C8y C    27.6759  -21.0565
            19  C8x C    26.4712  -18.9699
            20  C8x C    25.2666  -19.6654
            21  C8x C    25.2666  -21.0565
            22  C8x C    26.4712  -21.7520
            23  X   Cl   28.8923  -21.7591
BOND        26
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    6  12 2
            14   10  13 1
            15    1  14 1
            16   14  15 1
            17   15  16 1
            18    5  16 1
            19    1  17 1
            20   17  18 1
            21   17  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   18  22 2
            26   18  23 1


entry: D01269
name: --- - Solifenacin succinate (JAN/USAN) - Vesicare (TN)
formula: C23H26N2O2. C4H6O4
remark: Therapeutic category: 2590
activity:
Treatment for relief of symptoms of urinary frequency, urinary urgency, or urge urinary incontinence (UUI) associated with an overactive bladder [muscarinic M3 receptor antagonist]

kcf:
ATOM        35
            1   C6a C    35.7376  -17.6322
            2   C1b C    34.5210  -18.3399
            3   O6a O    36.9602  -18.3399
            4   O6a O    35.7376  -16.2341
            5   C1b C    33.3101  -17.6380
            6   C6a C    32.0993  -18.3457
            7   O6a O    30.8825  -17.6439
            8   O6a O    32.0993  -19.7438
            9   C1y C    26.7612  -16.7060
            10  C1x C    26.7612  -15.2963
            11  C1y C    25.5445  -17.4137
            12  C1x C    27.9661  -17.4137
            13  C1x C    27.4455  -16.5130
            14  C1x C    26.2348  -18.6188
            15  C1x C    28.6563  -18.6188
            16  N1y N    27.4397  -17.9226
            17  C1x C    20.7001  -14.6174
            18  C1x C    21.9079  -15.3172
            19  N1y N    21.9079  -16.7167
            20  C1y C    20.7001  -17.4164
            21  C8y C    19.4851  -15.3172
            22  C8y C    19.4851  -16.7167
            23  C8x C    18.2733  -17.4164
            24  C8x C    17.0612  -16.7167
            25  C8x C    17.0612  -15.3172
            26  C8x C    18.2733  -14.6174
            27  C8y C    20.7019  -18.8159
            28  C8x C    21.9153  -19.5131
            29  C8x C    21.9170  -20.9126
            30  C8x C    20.7060  -21.6139
            31  C8x C    19.4931  -20.9157
            32  C8x C    19.4912  -19.5162
            33  C7a C    23.1204  -17.4154
            34  O7a O    24.3320  -16.7148
            35  O7a O    23.1215  -18.8149
BOND        38
            1     6   7 1
            2     6   8 2
            3     1   2 1
            4     1   3 1
            5     1   4 2
            6     2   5 1
            7     5   6 1
            8    21  17 1
            9    17  18 1
            10   18  19 1
            11   19  20 1
            12   20  22 1
            13    9  10 1
            14   21  22 2
            15   22  23 1
            16   23  24 2
            17   24  25 1
            18   25  26 2
            19   26  21 1
            20    9  11 1
            21   20  27 1 #Up
            22    9  12 1
            23   10  13 1
            24   11  14 1
            25   12  15 1
            26   13  16 1
            27   27  28 2
            28   28  29 1
            29   29  30 2
            30   30  31 1
            31   31  32 2
            32   32  27 1
            33   14  16 1
            34   19  33 1
            35   15  16 1
            36   33  34 1
            37   33  35 2
            38   34  11 1


entry: D01270
name: --- - Carboquone (JAN) - Esquinon (TN)
formula: C15H19N3O5
remark: Therapeutic category: 4212
kcf:
ATOM        23
            1   C2y C    18.9282  -13.3571
            2   C2y C    18.9282  -11.9571
            3   C5x C    20.1436  -11.2571
            4   C2y C    21.3518  -11.9571
            5   C2y C    21.3518  -13.3571
            6   C5x C    20.1436  -14.0570
            7   O5x O    20.1454  -15.4570
            8   O5x O    20.1454   -9.8571
            9   N1y N    17.7163  -11.2566
            10  N1y N    22.5648  -14.0562
            11  C1a C    17.7163  -14.0577
            12  C1c C    22.5648  -11.2581
            13  C1b C    23.7767  -11.9590
            14  O7a O    24.9897  -11.2598
            15  C7a C    26.2015  -11.9608
            16  N1a N    27.4144  -11.2617
            17  O2a O    22.5658   -9.8581
            18  C1a C    23.7787   -9.1590
            19  O7a O    26.2004  -13.3608
            20  C1x C    23.9618  -14.0526
            21  C1x C    23.2583  -15.2678
            22  C1x C    16.3136  -11.2588
            23  C1x C    17.0185  -10.0445
BOND        25
            1     5   6 1
            2     4  12 1
            3     6   1 1
            4    12  13 1
            5    13  14 1
            6     6   7 2
            7    14  15 1
            8     1   2 2
            9    15  16 1
            10    3   8 2
            11   12  17 1
            12    2   3 1
            13   17  18 1
            14    2   9 1
            15   15  19 2
            16    3   4 1
            17    5  10 1
            18   10  20 1
            19   10  21 1
            20   21  20 1
            21    4   5 2
            22    1  11 1
            23    9  22 1
            24    9  23 1
            25   23  22 1


entry: D01271
name: --- - Bufexamac (JP15) - Anderm (TN)
formula: C12H17NO3
remark: Therapeutic category: 2649
kcf:
ATOM        16
            1   C8x C    20.1467  -14.0574
            2   C8y C    20.1467  -15.4576
            3   C8x C    18.9313  -16.1576
            4   C8x C    17.7229  -15.4576
            5   C8y C    17.7229  -14.0574
            6   C8x C    18.9313  -13.3574
            7   C1b C    16.5098  -13.3582
            8   C5a C    15.2978  -14.0591
            9   N1b N    14.0847  -13.3601
            10  O5a O    15.2989  -15.4593
            11  O1b O    12.8726  -14.0610
            12  O2a O    21.3590  -16.1582
            13  C1b C    22.5718  -15.4588
            14  C1b C    23.7841  -16.1595
            15  C1b C    24.9970  -15.4599
            16  C1a C    26.2091  -16.1607
BOND        16
            1     7   8 1
            2     2   3 2
            3     8   9 1
            4     3   4 1
            5     8  10 2
            6     4   5 2
            7     9  11 1
            8     5   6 1
            9     2  12 1
            10    6   1 2
            11   12  13 1
            12   13  14 1
            13    5   7 1
            14   14  15 1
            15    1   2 1
            16   15  16 1


entry: D01272
name: --- - Clobetasol propionate (JAN/USP) - Cormax (TN)
formula: C25H32ClFO5
activity: Anti-inflammatory
remark: Therapeutic category: 2646
kcf:
ATOM        32
            1   C1z C    25.9683  -13.7546
            2   C1z C    24.8006  -14.4311
            3   C1y C    27.1363  -14.4367
            4   O7a O    27.1419  -13.0724
            5   C5a C    25.9567  -12.3961
            6   C1y C    24.8006  -15.7780
            7   C1x C    23.6327  -13.7489
            8   C1a C    24.7947  -13.0551
            9   C1x C    27.1304  -15.7839
            10  C7a C    29.0033  -13.0724
            11  C1b C    27.1479  -11.7080
            12  O5a O    24.7659  -11.7196
            13  C1y C    23.6270  -16.4545
            14  C1y C    22.4591  -14.4252
            15  X   Cl   27.1363  -10.3320
            16  C1z C    22.4534  -15.7780
            17  C1x C    23.6327  -17.8073
            18  O1a O    21.2798  -13.7373
            19  C1z C    21.2856  -16.4545
            20  X   F    22.4476  -17.1252
            21  C1x C    22.4591  -18.4896
            22  C2y C    21.2856  -17.8131
            23  C2x C    20.1120  -15.7780
            24  C1a C    21.2740  -15.1016
            25  C2x C    20.1120  -18.4896
            26  C2x C    18.9383  -16.4545
            27  C5x C    18.9383  -17.8131
            28  O5x O    17.7590  -18.4836
            29  C1a C    28.5156  -14.4341
            30  O7a O    29.6949  -14.2703
            31  C1b C    29.6949  -11.8745
            32  C1a C    31.0780  -11.8745
BOND        35
            1     1   5 1 #Up
            2     2   6 1
            3     2   7 1
            4     2   8 1 #Up
            5     3   9 1
            6     4  10 1
            7     5  11 1
            8     5  12 2
            9     6  13 1
            10    7  14 1
            11   11  15 1
            12   13  16 1
            13   13  17 1
            14   14  18 1 #Up
            15   16  19 1
            16   16  20 1 #Down
            17   17  21 1
            18   19  22 1
            19   19  23 1
            20   19  24 1 #Up
            21   22  25 2
            22   23  26 2
            23   25  27 1
            24   27  28 2
            25    6   9 1
            26   14  16 1
            27   21  22 1
            28   26  27 1
            29    3  29 1 #Up
            30    1   2 1
            31   10  30 2
            32    1   3 1
            33   10  31 1
            34    1   4 1 #Down
            35   31  32 1


entry: D01273
name: --- - Clobetasone butyrate (JAN/USAN) - Kindavate (TN)
formula: C26H32ClFO5
activity: Anti-inflammatory
remark: Therapeutic category: 2646
kcf:
ATOM        33
            1   C1z C    20.4972  -13.5753
            2   C1z C    19.3183  -14.2583
            3   C1y C    21.6762  -14.2640
            4   O7a O    21.6820  -12.8866
            5   C5a C    20.4855  -12.2038
            6   C1y C    19.3183  -15.6181
            7   C1x C    18.1393  -13.5695
            8   C1a C    19.3124  -12.8692
            9   C1x C    21.6703  -15.6240
            10  C7a C    23.7011  -12.8866
            11  C1b C    21.6879  -11.5092
            12  O5a O    19.2833  -11.5209
            13  C1y C    18.1335  -16.3010
            14  C5x C    16.9545  -14.2523
            15  X   Cl   21.6762  -10.1201
            16  C1z C    16.9487  -15.6181
            17  C1x C    18.1393  -17.6667
            18  O5x O    15.7639  -13.5579
            19  C1z C    15.7697  -16.3010
            20  X   F    16.9428  -16.9780
            21  C1x C    16.9545  -18.3554
            22  C2y C    15.7697  -17.6725
            23  C2x C    14.5849  -15.6181
            24  C1a C    15.7580  -14.9353
            25  C2x C    14.5849  -18.3554
            26  C2x C    13.4001  -16.3010
            27  C5x C    13.4001  -17.6725
            28  O5x O    12.2096  -18.3495
            29  C1a C    23.0687  -14.2613
            30  O7a O    24.3993  -14.0959
            31  C1b C    24.3993  -11.6773
            32  C1b C    25.7956  -11.6773
            33  C1a C    26.4938  -10.4681
BOND        36
            1     2   6 1
            2     2   7 1
            3     2   8 1 #Up
            4     3   9 1
            5     4  10 1
            6     5  11 1
            7     5  12 2
            8     6  13 1
            9     7  14 1
            10   11  15 1
            11   13  16 1
            12   13  17 1
            13   14  18 2
            14   16  19 1
            15   16  20 1 #Down
            16   17  21 1
            17   19  22 1
            18   19  23 1
            19   19  24 1 #Up
            20   22  25 2
            21   23  26 2
            22   25  27 1
            23   27  28 2
            24    6   9 1
            25   14  16 1
            26   21  22 1
            27   26  27 1
            28    3  29 1 #Up
            29    1   2 1
            30   10  30 2
            31    1   3 1
            32   10  31 1
            33    1   4 1 #Down
            34   31  32 1
            35    1   5 1 #Up
            36   32  33 1


entry: D01274
name: --- - Tesaglitazar (JAN/USAN)
formula: C20H24O7S
activity: Treatment of type 2 diabetes and insulin resistance syndrome
remark: Therapeutic category: 3969
kcf:
ATOM        28
            1   C8x C    19.4514  -16.5595
            2   C8y C    19.4514  -17.9620
            3   C8x C    20.6689  -18.6633
            4   C8x C    21.8793  -17.9620
            5   C8y C    21.8793  -16.5595
            6   C8x C    20.6689  -15.8582
            7   C1b C    23.0851  -15.8582
            8   C1b C    24.2964  -16.5525
            9   O2a O    25.5076  -15.8513
            10  C8y C    26.7189  -16.5454
            11  C8x C    26.7233  -17.9414
            12  C8x C    27.9346  -18.6355
            13  C8y C    29.1414  -17.9338
            14  C8x C    29.1370  -16.5377
            15  C8x C    27.9257  -15.8435
            16  O2a O    18.2401  -18.6633
            17  S4a S    17.0289  -17.9620
            18  C1a C    15.8176  -18.6633
            19  C1b C    30.3455  -18.6350
            20  C1c C    31.5568  -17.9338
            21  C6a C    32.7680  -18.6350
            22  O6a O    32.7663  -20.0375
            23  O6a O    33.9835  -17.9351
            24  O2a O    31.5568  -16.5313
            25  C1b C    32.7714  -15.8300
            26  O3c O    18.0205  -16.9632
            27  O3c O    16.0301  -16.9632
            28  C1a C    33.9861  -16.5313
BOND        29
            1    12  13 2
            2    13  14 1
            3    14  15 2
            4    15  10 1
            5     1   2 2
            6     2  16 1
            7     7   8 1
            8    16  17 1
            9     2   3 1
            10   17  18 1
            11    8   9 1
            12   13  19 1
            13    3   4 2
            14   19  20 1
            15    9  10 1
            16   20  21 1
            17    4   5 1
            18   21  22 2
            19    5   6 2
            20   21  23 1
            21    6   1 1
            22   20  24 1 #Down
            23   24  25 1
            24    5   7 1
            25   17  26 2
            26   10  11 2
            27   17  27 2
            28   11  12 1
            29   25  28 1


entry: D01275
name: --- - Doxorubicin hydrochloride (JP15/USP) - Adriacin (TN) - Rubex (TN) - Adriamycin (TN)
formula: C27H29NO11. HCl
activity: Antineoplastic
remark: Therapeutic category: 4235
kcf:
ATOM        40
            1   C8x C    23.4525  -12.6014
            2   C8x C    23.4525  -14.0018
            3   C8y C    24.6429  -14.7020
            4   C8y C    25.9033  -14.0018
            5   C8y C    25.9033  -12.6014
            6   C8x C    24.6429  -11.9012
            7   C5x C    27.0936  -14.7020
            8   C8y C    28.2840  -14.0018
            9   C8y C    28.2840  -12.6014
            10  C5x C    27.0936  -11.9012
            11  C8y C    29.5443  -14.7020
            12  C8y C    30.7347  -14.0018
            13  C8y C    30.7347  -12.6014
            14  C8y C    29.5443  -11.9012
            15  C1y C    31.9250  -14.7020
            16  C1x C    33.1854  -14.0018
            17  C1z C    33.1854  -12.6014
            18  C1x C    31.9250  -11.9012
            19  O2a O    24.6429  -16.1024
            20  C1a C    23.4525  -16.8026
            21  O5x O    27.0936  -16.1024
            22  O5x O    27.0936  -10.5008
            23  O1a O    29.5443  -10.5008
            24  O1a O    29.5443  -16.1024
            25  O2a O    31.9250  -16.1024
            26  C1y C    33.1154  -16.8026
            27  C5a C    34.3758  -11.9012
            28  C1b C    35.5661  -12.6014
            29  O1a O    36.7565  -11.9012
            30  O5a O    34.3758  -10.5008
            31  O1a O    34.3758  -13.3016
            32  C1x C    33.1154  -18.2030
            33  C1y C    34.3758  -18.9032
            34  C1y C    35.5661  -18.2030
            35  C1y C    35.5661  -16.8026
            36  O2x O    34.3758  -16.1024
            37  N1a N    34.3930  -20.3035
            38  C1a C    36.7818  -16.1073
            39  O1a O    36.7818  -18.8983
            40  X   Cl   28.4940  -18.6932
BOND        43
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   12  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   13  18 1
            22    3  19 1
            23   19  20 1
            24    7  21 2
            25   10  22 2
            26   14  23 1
            27   11  24 1
            28   26  25 1 #Down
            29   15  25 1 #Down
            30   17  27 1 #Up
            31   27  28 1
            32   28  29 1
            33   27  30 2
            34   17  31 1 #Down
            35   26  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   26  36 1
            41   33  37 1 #Up
            42   35  38 1 #Up
            43   34  39 1 #Up


entry: D01276
name: --- - Atazanavir sulfate (JAN/USAN) - Reyataz (TN)
formula: C38H52N6O7. H2SO4
activity: Treatment of acute and chronic HIV infection [HIV protease inhibitor]
remark: Therapeutic category: 6250
kcf:
ATOM        56
            1   C1b C    27.2395  -17.2356
            2   C1a C    15.6253  -19.5293
            3   O7a O    16.7868  -20.2017
            4   C7a C    17.9482  -19.5293
            5   N1b N    19.1096  -20.2017
            6   C1c C    20.2710  -19.5293
            7   C5a C    21.4324  -20.2017
            8   N1b N    22.5939  -19.5293
            9   C1c C    23.7553  -20.2017
            10  C1c C    24.9167  -19.5293
            11  C1b C    26.0781  -20.2017
            12  N1c N    27.2395  -19.5293
            13  N1b N    28.4010  -20.2017
            14  C5a C    29.5624  -19.5293
            15  C1c C    30.7238  -20.2017
            16  N1b N    31.8851  -19.5293
            17  C7a C    33.0467  -20.2017
            18  O7a O    34.2081  -19.5293
            19  C1a C    35.3695  -20.2017
            20  O7a O    17.9482  -18.1844
            21  C1d C    20.2710  -17.0353
            22  C1a C    20.3275  -15.6905
            23  O5a O    21.4324  -21.5465
            24  C1b C    23.7553  -21.5465
            25  C8y C    24.9200  -22.2189
            26  C8x C    24.9164  -23.5637
            27  C8x C    26.0810  -24.2361
            28  C8x C    27.2456  -23.5637
            29  C8x C    27.2456  -22.2189
            30  C8x C    26.0810  -21.5465
            31  O1a O    24.9167  -18.1844
            32  O5a O    29.5624  -18.1844
            33  C1d C    30.7238  -22.4923
            34  C1a C    30.7169  -23.8372
            35  O7a O    33.0467  -21.5465
            36  C1a C    21.6085  -17.0283
            37  C1a C    18.8980  -17.0426
            38  C8y C    28.4182  -16.5553
            39  C8x C    29.5595  -17.2144
            40  C8x C    30.7334  -16.5368
            41  C8y C    30.7336  -15.1814
            42  C8x C    29.5923  -14.5223
            43  C8x C    28.4184  -15.1999
            44  C8y C    31.9257  -14.4931
            45  N5x N    33.0920  -15.1666
            46  C8x C    34.2659  -14.4889
            47  C8x C    34.2660  -13.1335
            48  C8x C    33.0997  -12.4600
            49  C8x C    31.9258  -13.1376
            50  C1a C    32.0455  -22.4959
            51  C1a C    29.3347  -22.4886
            52  S4a S    16.6884  -22.8888
            53  O1d O    15.3382  -22.8888
            54  O1d O    18.0386  -22.8888
            55  O3c O    16.6829  -21.5330
            56  O3c O    16.6829  -24.2390
BOND        57
            1    21  22 1
            2     8   9 1
            3     7  23 2
            4     9  24 1 #Down
            5     9  10 1
            6    24  25 1
            7    10  11 1
            8    11  12 1
            9     2   3 1
            10   25  26 2
            11   26  27 1
            12   27  28 2
            13   28  29 1
            14   29  30 2
            15   30  25 1
            16   12  13 1
            17   10  31 1 #Up
            18   12   1 1
            19   14  32 2
            20   13  14 1
            21   15  33 1 #Up
            22    3   4 1
            23   14  15 1
            24   33  34 1
            25   15  16 1
            26   17  35 2
            27    4   5 1
            28   16  17 1
            29   17  18 1
            30    5   6 1
            31   18  19 1
            32    4  20 2
            33    6   7 1
            34    6  21 1 #Up
            35    7   8 1
            36   21  36 1
            37   21  37 1
            38    1  38 1
            39   38  39 2
            40   39  40 1
            41   40  41 2
            42   41  42 1
            43   42  43 2
            44   38  43 1
            45   41  44 1
            46   44  45 2
            47   45  46 1
            48   46  47 2
            49   47  48 1
            50   48  49 2
            51   44  49 1
            52   33  50 1
            53   33  51 1
            54   52  53 1
            55   52  54 1
            56   52  55 2
            57   52  56 2


entry: D01277
name: --- - Droxidopa (JAN) - Dops (TN)
formula: C9H11NO5
remark: Therapeutic category: 1169
kcf:
ATOM        15
            1   C8x C    18.7757  -16.2885
            2   C8y C    18.7757  -17.6886
            3   C8y C    19.9912  -18.3887
            4   C8x C    21.1995  -17.6886
            5   C8y C    21.1995  -16.2885
            6   C8x C    19.9912  -15.5884
            7   O1a O    17.5634  -18.3894
            8   O1a O    19.9929  -19.7888
            9   C1c C    22.4125  -15.5894
            10  C1c C    23.6246  -16.2904
            11  C6a C    24.8377  -15.5911
            12  O6a O    26.0498  -16.2922
            13  O6a O    24.8387  -14.1910
            14  O1a O    22.4137  -14.1893
            15  N1a N    23.6236  -17.6905
BOND        15
            1     1   2 2
            2     3   8 1
            3     2   3 1
            4     5   9 1
            5     3   4 2
            6     9  10 1
            7     4   5 1
            8    10  11 1
            9     5   6 2
            10   11  12 1
            11    6   1 1
            12   11  13 2
            13    9  14 1 #Down
            14    2   7 1
            15   10  15 1 #Down


entry: D01278
name: --- - Oxazolam (JP15) - Serenal (TN)
formula: C18H17ClN2O2
remark: Therapeutic category: 1124
kcf:
ATOM        23
            1   C1y C    26.2476  -19.0550
            2   C1a C    26.2407  -20.4211
            3   C8x C    21.9444  -17.4466
            4   C8x C    21.9444  -18.8127
            5   C8x C    23.1303  -19.4958
            6   C8x C    24.3094  -18.8127
            7   C8y C    24.3094  -17.4466
            8   C8x C    23.1303  -16.7635
            9   C1z C    25.4930  -16.7643
            10  N1x N    26.2355  -13.6693
            11  C8y C    24.6995  -15.8562
            12  C8y C    24.7051  -14.5429
            13  C8x C    23.5632  -16.5357
            14  C8x C    23.5574  -13.8805
            15  C8y C    22.4155  -15.8733
            16  C1x C    27.7886  -16.0104
            17  C8x C    22.4097  -14.5486
            18  C5x C    27.7828  -14.4744
            19  X   Cl   21.2338  -16.5590
            20  O5x O    28.9494  -13.7633
            21  N1y N    26.9835  -16.7584
            22  O2x O    25.0381  -18.1840
            23  C1x C    27.4500  -18.1740
BOND        26
            1     1   2 1
            2     3   4 2
            3     4   5 1
            4    11  13 1
            5    12  14 1
            6    12  10 1
            7    13  15 2
            8    21  16 1
            9    14  17 2
            10   10  18 1
            11   15  17 1
            12   16  18 1
            13   15  19 1
            14   11   9 1
            15   11  12 2
            16    5   6 2
            17   18  20 2
            18    6   7 1
            19    7   8 2
            20    8   3 1
            21   21   9 1
            22    9  22 1
            23   22   1 1
            24    1  23 1
            25   23  21 1
            26    7   9 1


entry: D01279
name: --- - Flutoprazepam (JAN) - Restas (TN)
formula: C19H16ClFN2O
remark: Therapeutic category: 1124
kcf:
ATOM        24
            1   C2y C    32.0600  -15.9600
            2   C8y C    31.2200  -14.8400
            3   C8y C    31.5700  -13.5100
            4   N1y N    32.8300  -12.9500
            5   N2x N    33.4600  -15.9600
            6   C5x C    34.0900  -13.5800
            7   C1x C    34.3700  -14.9100
            8   C8x C    30.5200  -12.5300
            9   C8x C    29.1900  -12.9500
            10  C8y C    28.8400  -14.2800
            11  C8x C    29.8900  -15.2600
            12  O5x O    35.1400  -12.6000
            13  X   Cl   27.5100  -14.7000
            14  C8y C    31.4300  -17.2200
            15  C8x C    30.0300  -17.2200
            16  C8x C    29.3300  -18.4100
            17  C8x C    30.0300  -19.6700
            18  C8x C    31.4300  -19.6700
            19  C8y C    32.1300  -18.4100
            20  X   F    33.5300  -18.4100
            21  C1b C    32.8300  -11.5500
            22  C1y C    34.0900  -10.8500
            23  C1x C    35.4900  -10.8500
            24  C1x C    34.7900   -9.6600
BOND        27
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    6  12 2
            14   10  13 1
            15    1  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   14  19 2
            22   19  20 1
            23    4  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  22 1


entry: D01280
name: --- - Warfarin potassium (JP15) - Athrombin-K (TN)
formula: C19H15O4. K
remark: Therapeutic category: 3332
kcf:
ATOM        24
            1   C8y C    24.8561  -17.2746
            2   C1c C    26.0688  -17.9857
            3   C8y C    23.6435  -17.9683
            4   C8y C    24.8620  -15.8811
            5   C1b C    27.2872  -17.2862
            6   C8y C    22.4425  -17.2570
            7   O0  O    23.6376  -19.3675 #-
            8   O7x O    23.6609  -15.1815
            9   O7x O    26.0862  -15.1932
            10  C5a C    28.4940  -17.9973
            11  C8y C    22.4484  -15.8637
            12  C8x C    21.2299  -17.9683
            13  C1a C    28.4881  -19.4025
            14  O5a O    29.7066  -17.3037
            15  C8x C    21.2357  -15.1641
            16  C8x C    20.0231  -17.2629
            17  C8x C    20.0231  -15.8578
            18  C8y C    26.0624  -19.3898
            19  C8x C    24.8299  -20.0941
            20  C8x C    24.8237  -21.4941
            21  C8x C    26.0330  -22.1995
            22  C8x C    27.2655  -21.4952
            23  C8x C    27.2717  -20.0952
            24  Z   K    21.3765  -19.4017 #+
BOND        25
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    6  12 1
            12   10  13 1
            13   10  14 2
            14   11  15 1
            15   12  16 2
            16   15  17 2
            17    8  11 1
            18   16  17 1
            19    2  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1


entry: D01281
name: --- - Cyclofenil (JAN) - Sexovid (TN)
formula: C23H24O4
remark: Therapeutic category: 2499
kcf:
ATOM        27
            1   C2y C    24.5158  -14.3724
            2   C2c C    24.5087  -15.7727
            3   C8y C    23.2925  -16.4668
            4   C8y C    25.7179  -16.4790
            5   C8x C    22.0843  -15.7608
            6   C8x C    20.8680  -16.4549
            7   C8y C    20.8610  -17.8553
            8   C8x C    22.0701  -18.5616
            9   C8x C    23.2864  -17.8675
            10  C8x C    25.7033  -17.8726
            11  C8x C    26.9125  -18.5789
            12  C8y C    28.1287  -17.8848
            13  C8x C    28.1358  -16.4844
            14  C8x C    26.9266  -15.7782
            15  O7a O    19.6447  -18.5492
            16  O7a O    29.3379  -18.5911
            17  C7a C    18.4354  -17.8429
            18  C1a C    17.2192  -18.5370
            19  O7a O    18.4426  -16.4425
            20  C7a C    30.5541  -17.8970
            21  C1a C    31.7634  -18.6033
            22  O7a O    30.4913  -16.4968
            23  C1x C    25.7320  -13.6783
            24  C1x C    25.7391  -12.2779
            25  C1x C    24.5299  -11.5716
            26  C1x C    23.3135  -12.2657
            27  C1x C    23.3066  -13.6661
BOND        29
            1    12  13 1
            2    13  14 2
            3    14   4 1
            4     5   6 1
            5     7  15 1
            6     6   7 2
            7    12  16 1
            8     7   8 1
            9    15  17 1
            10    8   9 2
            11   17  18 1
            12    9   3 1
            13   17  19 2
            14    2   3 1
            15   16  20 1
            16    1   2 2
            17   20  21 1
            18    2   4 1
            19   20  22 2
            20    3   5 2
            21    4  10 2
            22   10  11 1
            23   11  12 2
            24    1  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27   1 1


entry: D01282
name: --- - Etamsylate (JAN) - Ethamsylate (USAN)
formula: C6H6O5S. C4H11N
activity: Hemostatic
remark: Therapeutic category: 3329
kcf:
ATOM        17
            1   C8x C    33.1968  -16.0873
            2   C8y C    33.1968  -17.4875
            3   C8x C    34.4132  -18.1912
            4   C8x C    35.6227  -17.4875
            5   C8y C    35.6227  -16.0873
            6   C8y C    34.4132  -15.3907
            7   S4a S    34.4149  -13.9904
            8   O3c O    33.0139  -13.9904
            9   O1d O    34.4070  -12.5901
            10  O3c O    35.8144  -13.9904
            11  O1a O    36.8369  -15.3917
            12  O1a O    31.9836  -18.1918
            13  C1b C    24.6617  -15.1908
            14  C1a C    23.4542  -15.8887
            15  N1b N    25.8760  -15.8887
            16  C1b C    27.0857  -15.1946
            17  C1a C    28.3001  -15.8997
BOND        16
            1     4   5 1
            2     5   6 2
            3     6   1 1
            4     6   7 1
            5     7   8 2
            6     7   9 1
            7     7  10 2
            8     5  11 1
            9     2  12 1
            10    1   2 2
            11    2   3 1
            12    3   4 2
            13   13  14 1
            14   13  15 1
            15   15  16 1
            16   16  17 1


entry: D01283
name: --- - Carindacillin sodium (JAN) - Carbenicillin indanyl sodium (USP) - Geocillin (TN)
formula: C26H25N2O6S. Na
activity: Antibacterial
remark: Same as: C12712 Therapeutic category: 6121
comment: semisynthetic penicillin: extended spectrum penicillin
kcf:
ATOM        36
            1   C1y C    28.8492  -16.2573
            2   C5x C    28.8492  -17.6614
            3   N1y N    30.2534  -17.6614
            4   C1y C    30.2534  -16.2573
            5   C1y C    31.5888  -18.0954
            6   C1z C    32.4140  -16.9594
            7   S2x S    31.5888  -15.8233
            8   C1a C    33.4068  -17.9523
            9   C1a C    33.4068  -15.9665
            10  C6a C    32.0189  -19.4190
            11  O0  O    33.4229  -19.4190 #-
            12  O6a O    31.1909  -20.5584
            13  N1b N    27.6360  -15.5569
            14  C5a C    26.4228  -16.2573
            15  O5x O    27.6360  -18.3618
            16  C1c C    25.1930  -15.5472
            17  C7a C    23.9939  -16.2397
            18  O5a O    26.4227  -17.6517
            19  O7a O    22.8074  -15.5546
            20  O7a O    23.9937  -17.6515
            21  C8y C    21.6145  -16.2434
            22  C8y C    25.1930  -14.1498
            23  C8x C    26.4215  -13.4405
            24  C8x C    26.4214  -12.0396
            25  C8x C    25.2082  -11.3393
            26  C8x C    23.9797  -12.0487
            27  C8x C    23.9798  -13.4495
            28  C8x C    20.4247  -15.5565
            29  C8y C    19.2115  -16.2569
            30  C8y C    19.2115  -17.6577
            31  C8x C    20.4013  -18.3446
            32  C8x C    21.6145  -17.6442
            33  C1x C    17.8793  -15.8240
            34  C1x C    17.0559  -16.9573
            35  C1x C    17.8793  -18.0906
            36  Z   Na   35.0002  -19.4601 #+
BOND        39
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 1
            18   16  17 1
            19   14  18 2
            20   17  19 1
            21   17  20 2
            22   19  21 1
            23   16  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   21  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   21  32 1
            36   29  33 1
            37   33  34 1
            38   34  35 1
            39   30  35 1


entry: D01284
name: --- - Bisbentiamine (JAN) - Beston (TN)
formula: C38H42N8O6S2
remark: Therapeutic category: 3122
kcf:
ATOM        54
            1   C1b C    22.9908  -15.6022
            2   C1b C    21.7786  -14.8986
            3   O7a O    21.7816  -13.4970
            4   C7a C    20.5691  -12.7934
            5   C8y C    20.5722  -11.3918
            6   C8x C    19.3608  -10.6908
            7   C8x C    19.3638   -9.2891
            8   C8x C    20.5793   -8.5908
            9   C8x C    21.7916   -9.2944
            10  C8x C    21.7886  -10.6960
            11  O7a O    19.3537  -13.4917
            12  C1b C    19.3662  -19.1133
            13  C1b C    20.5786  -19.8169
            14  O7a O    20.5754  -21.2185
            15  C7a C    21.7879  -21.9221
            16  C8y C    21.7848  -23.3238
            17  O7a O    23.0034  -21.2238
            18  C8x C    22.9952  -24.0190
            19  C8x C    22.9921  -25.4207
            20  C8x C    21.7767  -26.1188
            21  C8x C    20.5644  -25.4152
            22  C8x C    20.5674  -24.0136
            23  C8y C    14.5200  -17.7259
            24  C1b C    15.7306  -17.0251
            25  N1c N    16.9411  -17.7188
            26  C2c C    18.1516  -17.0180
            27  C2c C    19.3621  -17.7117
            28  S3a S    20.5727  -17.0108
            29  S3a S    21.7833  -17.7047
            30  C2c C    22.9938  -17.0039
            31  C2c C    24.2044  -17.6976
            32  N1c N    25.4149  -16.9967
            33  C1b C    26.6254  -17.6904
            34  C8y C    27.8360  -16.9896
            35  C1a C    18.1486  -15.6163
            36  C4a C    16.9441  -19.1205
            37  C8x C    13.3078  -17.0280
            38  N5x N    12.0973  -17.7288
            39  C8y C    12.0990  -19.1276
            40  N5x N    13.3112  -19.8255
            41  C8y C    14.5217  -19.1247
            42  C1a C    10.8861  -19.8298
            43  C1a C    24.2074  -19.0992
            44  C4a C    25.4118  -15.5951
            45  C8x C    29.0482  -17.6875
            46  N5x N    30.2587  -16.9867
            47  C8y C    30.2570  -15.5879
            48  N5x N    29.0448  -14.8900
            49  C8y C    27.8343  -15.5908
            50  C1a C    31.4701  -14.8857
            51  O4a O    18.1596  -19.8186
            52  N1a N    15.7365  -19.8240
            53  O4a O    24.1964  -14.8969
            54  N1a N    26.6197  -14.8915
BOND        57
            1    13  14 1
            2    27  28 1
            3     4   5 1
            4    28  29 1
            5    14  15 1
            6    29  30 1
            7     5   6 2
            8    30  31 2
            9    15  16 1
            10   31  32 1
            11    6   7 1
            12   32  33 1
            13   15  17 2
            14   33  34 1
            15   27  12 1
            16    7   8 2
            17   26  35 1
            18    8   9 1
            19   25  36 1
            20    9  10 2
            21   10   5 1
            22    2   3 1
            23   16  18 2
            24   18  19 1
            25   23  37 1
            26   37  38 2
            27   38  39 1
            28   39  40 2
            29   40  41 1
            30   41  23 2
            31   19  20 2
            32   39  42 1
            33   30   1 1
            34   20  21 1
            35   31  43 1
            36   21  22 2
            37   32  44 1
            38   22  16 1
            39    4  11 2
            40    1   2 1
            41   23  24 1
            42    3   4 1
            43   34  45 2
            44   45  46 1
            45   46  47 2
            46   47  48 1
            47   48  49 2
            48   49  34 1
            49   24  25 1
            50   47  50 1
            51   12  13 1
            52   36  51 2
            53   25  26 1
            54   41  52 1
            55   44  53 2
            56   26  27 2
            57   49  54 1


entry: D01285
name: --- - Lofepramine hydrochloride (JAN/USAN) - Amplit (TN)
formula: C26H27ClN2O. HCl
activity: Antidepressant
remark: Therapeutic category: 1174
comment: serotonin norepinephrine reuptake inhibitor
kcf:
ATOM        31
            1   X   Cl   34.8269  -19.0579
            2   N1y N    27.6944  -18.9188
            3   C8y C    26.9344  -17.9190
            4   C8y C    29.1499  -18.9128
            5   C1b C    27.7001  -20.3743
            6   C8y C    26.9402  -16.5628
            7   C8x C    25.7594  -18.6148
            8   C8y C    30.0501  -18.0886
            9   C8x C    29.4131  -20.1112
            10  C1b C    26.4375  -21.1050
            11  C1x C    28.5303  -15.5924
            12  C8x C    25.7594  -15.8730
            13  C8x C    24.5668  -17.9307
            14  C1x C    30.0444  -16.4926
            15  C8x C    31.2194  -18.4570
            16  C8x C    30.5821  -20.4796
            17  C1b C    25.1689  -20.3803
            18  C8x C    24.5727  -16.5571
            19  C8x C    31.4825  -19.6437
            20  N1c N    23.9120  -21.1109
            21  C1b C    22.6553  -20.3803
            22  C1a C    23.9180  -22.5665
            23  C5a C    21.4420  -21.0758
            24  C8y C    20.2330  -20.3728
            25  O5a O    21.4378  -22.4744
            26  C8x C    20.2443  -18.9754
            27  C8x C    19.0352  -18.2723
            28  C8y C    17.8219  -18.9679
            29  C8x C    17.8177  -20.3665
            30  C8x C    19.0268  -21.0696
            31  X   Cl   16.6129  -18.2651
BOND        33
            1     5  10 1
            2     6  11 1
            3     6  12 1
            4     7  13 2
            5     8  14 1
            6     8  15 1
            7     9  16 2
            8    10  17 1
            9    12  18 2
            10   15  19 2
            11   17  20 1
            12   20  21 1
            13   20  22 1
            14   11  14 1
            15   13  18 1
            16   16  19 1
            17   21  23 1
            18   23  24 1
            19    2   3 1
            20   23  25 2
            21    2   4 1
            22    2   5 1
            23    3   6 2
            24    3   7 1
            25    4   8 2
            26   24  26 2
            27   26  27 1
            28   27  28 2
            29   28  29 1
            30   29  30 2
            31   30  24 1
            32    4   9 1
            33   28  31 1


entry: D01286
name: --- - Flutazolam (JAN) - Coreminal (TN)
formula: C19H18ClFN2O3
remark: Therapeutic category: 1124
kcf:
ATOM        26
            1   C1z C    17.9931  -13.2478
            2   C8y C    17.1504  -12.1374
            3   C8y C    17.4859  -10.7797
            4   N1y N    18.7477  -10.2011
            5   N1y N    19.3999  -13.2030
            6   C5x C    20.0022  -10.8239
            7   C1x C    20.2889  -12.1936
            8   C8x C    16.4780   -9.8106
            9   C8x C    15.1351  -10.1989
            10  C8y C    14.7997  -11.5567
            11  C8x C    15.8075  -12.5255
            12  O5x O    21.0471   -9.8888
            13  X   Cl   13.4339  -11.9514
            14  C1b C    18.7695   -8.8253
            15  C1b C    19.9878   -8.1473
            16  O1a O    20.0098   -6.7200
            17  O2x O    17.6010  -14.5996
            18  C1x C    18.7654  -15.3903
            19  C1x C    19.8772  -14.5271
            20  C8y C    16.2907  -13.9478
            21  C8x C    15.0782  -13.2478
            22  C8x C    13.8658  -13.9478
            23  C8x C    13.8658  -15.3478
            24  C8x C    15.0782  -16.0478
            25  C8y C    16.2907  -15.3478
            26  X   F    17.5096  -16.0517
BOND        29
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    6  12 2
            14   10  13 1
            15    4  14 1
            16   14  15 1
            17   15  16 1
            18    1  17 1
            19   17  18 1
            20   18  19 1
            21    5  19 1
            22    1  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   20  25 1
            29   25  26 1


entry: D01287
name: --- - Levobupivacaine hydrochloride (JAN/USAN) - Chirocaine (TN)
formula: C18H28N2O. HCl
activity: Local anesthetic; Analgesic
remark: Therapeutic category: 1214
kcf:
ATOM        22
            1   C1y C    26.0358  -18.8835
            2   N1y N    26.0184  -20.2817
            3   C5a C    24.8241  -18.1727
            4   C1x C    27.2477  -18.1843
            5   C1x C    27.2301  -20.9866
            6   C1b C    24.8008  -20.9692
            7   N1b N    23.6122  -18.8661
            8   O5a O    24.8357  -16.7687
            9   C1x C    28.4535  -18.8951
            10  C1x C    28.4478  -20.2991
            11  C1b C    23.6005  -20.2701
            12  C8y C    22.4004  -18.1553
            13  C1b C    22.3888  -20.9633
            14  C8y C    21.1828  -18.8485
            15  C8y C    22.4121  -16.7511
            16  C1a C    22.3888  -22.3558
            17  C8x C    19.9768  -18.1377
            18  C1a C    21.1828  -20.2409
            19  C8x C    21.2002  -16.0462
            20  C1a C    23.3966  -15.7433
            21  C8x C    19.9768  -16.7395
            22  X   Cl   31.4327  -19.6720
BOND        22
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12   11  13 1
            13   12  14 1
            14   12  15 2
            15   13  16 1
            16   14  17 2
            17   14  18 1
            18   15  19 1
            19   15  20 1
            20   17  21 1
            21    9  10 1
            22   19  21 2


entry: D01289
name: --- - Suxibuzone (JAN)
formula: C24H26N2O6
kcf:
ATOM        32
            1   C5x C    25.3543  -16.1080
            2   N1y N    24.9183  -14.7768
            3   N1y N    26.0546  -13.9504
            4   C5x C    27.1907  -14.7768
            5   C1z C    26.7549  -16.1080
            6   C8y C    26.0546  -12.5498
            7   C8y C    23.5857  -14.3458
            8   C8x C    24.8379  -11.8561
            9   C8x C    24.8379  -10.4556
            10  C8x C    26.0509   -9.7553
            11  C8x C    27.2639  -10.4557
            12  C8x C    27.2639  -11.8563
            13  C8x C    22.5514  -15.2798
            14  C8x C    21.2188  -14.8490
            15  C8x C    20.9257  -13.4793
            16  C8x C    21.9652  -12.5408
            17  C8x C    23.2979  -12.9717
            18  O5x O    24.5325  -17.2420
            19  O5x O    28.5234  -14.3458
            20  C1b C    27.9645  -16.8011
            21  C1b C    29.1741  -16.1008
            22  C1b C    30.3837  -16.7940
            23  C1a C    31.5933  -16.0937
            24  C1b C    26.7478  -17.5086
            25  O7a O    27.9572  -18.2150
            26  C7a C    27.9501  -19.6156
            27  C1b C    29.1593  -20.3220
            28  O7a O    26.7335  -20.3096
            29  C1b C    29.2222  -21.7225
            30  C6a C    30.3616  -22.4289
            31  O6a O    30.3545  -23.8295
            32  O6a O    31.5780  -21.7349
BOND        34
            1    13  14 1
            2    14  15 2
            3    15  16 1
            4    16  17 2
            5    17   7 1
            6     4   5 1
            7     1  18 2
            8     5   1 1
            9     4  19 2
            10    5  20 1
            11    6   8 2
            12   20  21 1
            13    8   9 1
            14   21  22 1
            15    9  10 2
            16   22  23 1
            17   10  11 1
            18    5  24 1
            19   11  12 2
            20   24  25 1
            21   12   6 1
            22   25  26 1
            23    3   6 1
            24   26  27 1
            25    1   2 1
            26   26  28 2
            27    2   7 1
            28   27  29 1
            29    2   3 1
            30   29  30 1
            31    3   4 1
            32   30  31 1
            33    7  13 2
            34   30  32 2


entry: D01290
name: --- - Nicergoline (JP15/USAN) - Sermion (TN)
formula: C24H26BrN3O3
activity: Vasodilator
remark: Therapeutic category: 2190
kcf:
ATOM        31
            1   C8x C    19.1423  -18.2109
            2   C8x C    19.1353  -19.5858
            3   C8y C    20.3226  -20.2793
            4   C8x C    20.3364  -17.5294
            5   C8y C    21.5237  -18.2229
            6   C8y C    21.5097  -19.5921
            7   C8y C    22.6884  -20.2891
            8   C1x C    23.8812  -19.6166
            9   C1z C    22.7166  -17.5504
            10  C1y C    23.8919  -18.2496
            11  N1y N    25.1550  -17.5813
            12  C1x C    25.1026  -16.2138
            13  C1y C    23.9274  -15.5147
            14  C1x C    22.7343  -16.1832
            15  C1a C    26.2666  -18.2841
            16  C1b C    23.9452  -14.1400
            17  O7a O    25.1446  -13.4680
            18  C7a C    26.3264  -14.1708
            19  C8y C    27.5260  -13.4988
            20  O7a O    26.3085  -15.5457
            21  C8x C    28.7036  -14.2021
            22  C8y C    29.9030  -13.5302
            23  C8x C    29.9208  -12.1554
            24  N5x N    28.7392  -11.4526
            25  C8x C    27.5396  -12.1246
            26  X   Br   31.0848  -14.2331
            27  O2a O    21.5172  -16.8568
            28  C1a C    21.5182  -15.4819
            29  N4y N    20.3089  -21.6482
            30  C8x C    22.6768  -21.6620
            31  C1a C    19.3290  -22.6126
BOND        35
            1    11  15 1
            2     6   7 1
            3    13  16 1 #Up
            4     7   8 1
            5    16  17 1
            6     8  10 1
            7    17  18 1
            8     9   5 1
            9    18  19 1
            10    5   4 2
            11   18  20 2
            12    4   1 1
            13    1   2 2
            14    2   3 1
            15    3   6 2
            16   19  21 2
            17   21  22 1
            18   22  23 2
            19   23  24 1
            20   24  25 2
            21   25  19 1
            22    9  10 1
            23   22  26 1
            24   10  11 1
            25    9  27 1 #Down
            26   11  12 1
            27   27  28 1
            28   12  13 1
            29   13  14 1
            30    3  29 1
            31   14   9 1
            32    7  30 2
            33   29  30 1
            34    5   6 1
            35   29  31 1


entry: D01291
name: --- - Nicomol (JP15) - Cholexamin (TN)
formula: C34H32N4O9
remark: Therapeutic category: 2189
kcf:
ATOM        47
            1   C1y C    25.0512  -18.4819
            2   C1z C    23.8359  -19.1779
            3   C1x C    23.9009  -20.5783
            4   C1x C    25.0412  -21.2828
            5   C1x C    26.2564  -20.5870
            6   C1z C    26.2615  -19.1866
            7   C1b C    27.4718  -19.8912
            8   C1b C    26.2666  -17.7861
            9   O7a O    28.6870  -19.1954
            10  O7a O    27.4820  -17.0903
            11  C7a C    27.4869  -15.6899
            12  C7a C    29.8974  -19.9000
            13  C8y C    31.1128  -19.2042
            14  O7a O    29.8923  -21.3005
            15  C8y C    28.7023  -14.9941
            16  O7a O    26.2768  -14.9853
            17  C1b C    23.8504  -17.7797
            18  C1b C    22.6222  -19.8766
            19  O7a O    22.7150  -17.0669
            20  O7a O    21.4102  -19.1749
            21  C7a C    22.6596  -15.6666
            22  C7a C    20.1967  -19.8735
            23  O7a O    23.8796  -14.9790
            24  C8y C    21.5240  -14.9539
            25  C8y C    18.9847  -19.1718
            26  O7a O    20.2648  -21.2740
            27  O1a O    25.0563  -17.0817
            28  C8x C    29.9099  -15.7016
            29  C8x C    31.1253  -15.0058
            30  C8x C    31.1303  -13.6054
            31  N5x N    29.9201  -12.9007
            32  C8x C    28.7047  -13.5965
            33  C8x C    32.3195  -19.9094
            34  N5x N    33.5349  -19.2136
            35  C8x C    33.5400  -17.8131
            36  C8x C    32.3297  -17.1085
            37  C8x C    31.1143  -17.8043
            38  C8x C    18.9908  -17.7775
            39  C8x C    17.7788  -17.0757
            40  C8x C    16.5652  -17.7746
            41  N5x N    16.5634  -19.1750
            42  C8x C    17.7754  -19.8766
            43  C8x C    21.4741  -13.5567
            44  N5x N    20.2685  -12.8439
            45  C8x C    19.0485  -13.5314
            46  C8x C    19.0339  -14.9318
            47  C8x C    20.2395  -15.6446
BOND        51
            1     5   6 1
            2    21  24 1
            3     9  12 1
            4    22  25 1
            5     6   1 1
            6    22  26 2
            7    12  13 1
            8     1  27 1
            9    12  14 2
            10    6   7 1
            11   11  15 1
            12    1   2 1
            13   15  28 2
            14   28  29 1
            15   29  30 2
            16   30  31 1
            17   31  32 2
            18   32  15 1
            19   11  16 2
            20    6   8 1
            21    2  17 1
            22    2   3 1
            23    2  18 1
            24   13  33 2
            25   33  34 1
            26   34  35 2
            27   35  36 1
            28   36  37 2
            29   37  13 1
            30    7   9 1
            31   17  19 1
            32    3   4 1
            33   18  20 1
            34    8  10 1
            35   25  38 2
            36   38  39 1
            37   39  40 2
            38   40  41 1
            39   41  42 2
            40   42  25 1
            41   19  21 1
            42    4   5 1
            43   20  22 1
            44   10  11 1
            45   21  23 2
            46   24  43 2
            47   43  44 1
            48   44  45 2
            49   45  46 1
            50   46  47 2
            51   47  24 1


entry: D01292
name: --- - Medazepam (JP15) - Pamnace (TN)
formula: C16H15ClN2
remark: Therapeutic category: 1124
kcf:
ATOM        19
            1   C1a C    27.4746  -14.6975
            2   N1y N    27.4676  -16.0788
            3   C8x C    25.5370  -21.2870
            4   C8x C    25.5370  -22.6683
            5   C8x C    26.7361  -23.3589
            6   C8x C    27.9282  -22.6683
            7   C8x C    27.9282  -21.2870
            8   C8y C    26.7361  -20.5964
            9   C2y C    26.7229  -19.2151
            10  C8y C    25.9206  -18.2970
            11  C8y C    25.9263  -16.9691
            12  C8x C    24.7717  -18.9839
            13  C8x C    24.7658  -16.2994
            14  C8y C    23.6113  -18.3142
            15  C1x C    29.0439  -18.4529
            16  C8x C    23.6054  -16.9748
            17  C1x C    29.0380  -16.8998
            18  X   Cl   22.4165  -19.0075
            19  N2x N    28.2299  -19.2791
BOND        21
            1     3   4 2
            2     4   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     8   3 1
            7     8   9 1
            8     1   2 1
            9    10  12 1
            10   11  13 1
            11   11   2 1
            12   12  14 2
            13   19  15 1
            14   13  16 2
            15    2  17 1
            16   14  16 1
            17   15  17 1
            18   14  18 1
            19   10   9 1
            20   10  11 2
            21   19   9 2


entry: D01293
name: --- - Ethyl loflazepate (JAN) - Meilax (TN)
formula: C18H14ClFN2O3
remark: Therapeutic category: 1124
kcf:
ATOM        25
            1   C2y C    19.3834  -15.4794
            2   C8y C    18.5413  -14.3698
            3   C8y C    18.8765  -13.0130
            4   N1x N    20.1375  -12.4349
            5   N2x N    20.7892  -15.5046
            6   C5x C    21.3911  -13.0572
            7   C1y C    21.6776  -14.4259
            8   C8x C    17.8694  -12.0446
            9   C8x C    16.5274  -12.4327
            10  C8y C    16.1922  -13.7895
            11  C8x C    17.1993  -14.7576
            12  X   Cl   14.8274  -14.1839
            13  C8y C    18.7489  -16.7291
            14  C8x C    17.3473  -16.7291
            15  C8x C    16.6473  -17.9416
            16  C8x C    17.3473  -19.1540
            17  C8x C    18.7489  -19.1540
            18  C8y C    19.4489  -17.9416
            19  X   F    20.8598  -17.9417
            20  C7a C    22.8901  -15.1259
            21  O7a O    24.1025  -14.4259
            22  O5x O    22.5003  -12.1995
            23  O7a O    22.8901  -16.5200
            24  C1b C    25.2954  -15.1148
            25  C1a C    26.4865  -14.4271
BOND        27
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13   10  12 1
            14    1  13 1
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   13  18 2
            21   18  19 1
            22    7  20 1
            23   20  21 1
            24    6  22 2
            25   20  23 2
            26   21  24 1
            27   24  25 1


entry: D01294
name: --- - Ethynodiol diacetate (JAN/USP)
formula: C24H32O4
activity: Progestin
remark: Same as: C12724 Therapeutic category: 2479
comment: Component of Edulen (TN), Kelnor (TN)
kcf:
ATOM        28
            1   C1x C    18.6777  -16.6616
            2   C1y C    18.6777  -18.0266
            3   C2x C    19.8597  -18.7091
            4   C2y C    21.0419  -18.0266
            5   C1y C    21.0419  -16.6616
            6   C1x C    19.8597  -15.9791
            7   C1x C    22.2240  -18.7091
            8   C1x C    23.4061  -18.0266
            9   C1y C    23.4061  -16.6616
            10  C1y C    22.2240  -15.9791
            11  C1y C    24.5883  -15.9791
            12  C1z C    24.5883  -14.6141
            13  C1x C    23.4061  -13.9316
            14  C1x C    22.2240  -14.6141
            15  C1a C    24.5883  -13.2491
            16  O7a O    17.4956  -18.7091
            17  C7a C    16.3300  -18.0360
            18  C1a C    15.0920  -18.7503
            19  O7a O    16.3299  -16.6601
            20  C1x C    25.8865  -16.4009
            21  C1x C    26.6888  -15.2966
            22  C1z C    25.8865  -14.1923
            23  O7a O    25.8865  -12.7923
            24  C7a C    27.1012  -12.0909
            25  C1a C    28.3134  -12.7907
            26  O7a O    27.1010  -10.7100
            27  C3b C    27.2865  -14.1923
            28  C3a C    28.6865  -14.1923
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   12  15 1 #Up
            18    2  16 1 #Up
            19   16  17 1
            20   17  18 1
            21   17  19 2
            22   11  20 1
            23   20  21 1
            24   21  22 1
            25   12  22 1
            26   22  23 1 #Up
            27   23  24 1
            28   24  25 1
            29   24  26 2
            30   22  27 1 #Down
            31   27  28 3


entry: D01295
name: --- - Cinnarizine (JAN/USAN)
formula: C26H28N2
activity: Antihistaminic
remark: Therapeutic category: 2190
kcf:
ATOM        28
            1   C8x C     7.7700  -17.9900
            2   C8x C     7.7700  -19.3900
            3   C8x C     8.9824  -20.0900
            4   C8x C    10.1949  -19.3900
            5   C8y C    10.1949  -17.9900
            6   C8x C     8.9824  -17.2900
            7   C8x C    12.6197  -19.3900
            8   C8y C    12.6197  -17.9900
            9   C1c C    11.4073  -17.2900
            10  C8x C    13.8322  -20.0900
            11  C8x C    15.0446  -19.3900
            12  C8x C    15.0446  -17.9900
            13  C8x C    13.8322  -17.2900
            14  N1y N    11.4073  -15.8900
            15  C1x C    12.6218  -15.1888
            16  C1x C    12.6218  -13.7888
            17  N1y N    11.4093  -13.0888
            18  C1x C    10.1949  -13.7900
            19  C1x C    10.1949  -15.1900
            20  C1b C    11.4093  -11.6900
            21  C2b C    12.6223  -10.9897
            22  C2b C    13.8180  -11.6802
            23  C8y C    15.0052  -10.9949
            24  C8x C    16.1965  -11.6829
            25  C8x C    17.4091  -10.9830
            26  C8x C    17.4092   -9.5830
            27  C8x C    16.2179   -8.8950
            28  C8x C    15.0054   -9.5949
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   14  19 1
            22   17  20 1
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1


entry: D01296
name: --- - Methylphenidate hydrochloride (JAN/USP) - Ritalin (TN)
formula: C14H19NO2. HCl
activity: Stimulant [central]
remark: Therapeutic category: 1179
kcf:
ATOM        18
            1   C1c C    24.3131  -18.3693
            2   C8y C    24.3014  -19.7673
            3   C1y C    23.1133  -17.6530
            4   C7a C    25.5364  -17.6763
            5   C8x C    23.0840  -20.4546
            6   C8x C    25.5072  -20.4779
            7   C1x C    21.8959  -18.3403
            8   N1x N    23.1307  -16.2550
            9   O7a O    25.5538  -16.2783
            10  O7a O    26.7421  -18.3926
            11  C8x C    23.0724  -21.8583
            12  C8x C    25.4898  -21.8759
            13  C1x C    20.6902  -17.6296
            14  C1x C    21.9249  -15.5385
            15  C1a C    26.7712  -15.5910
            16  C8x C    24.2665  -22.5689
            17  C1x C    20.7018  -16.2258
            18  X   Cl   30.7573  -18.5477
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   11  16 2
            16   13  17 1
            17   12  16 1
            18   14  17 1


entry: D01297
name: --- - Pirenzepine hydrochloride (USAN)
formula: C19H21N5O2. 2HCl
activity: Anti-ulcerative
remark: Therapeutic category: 2329
kcf:
ATOM        28
            1   N1y N    22.6267  -17.5345
            2   C8y C    23.9601  -17.5286
            3   C8y C    21.7650  -16.6204
            4   C5a C    22.5800  -18.9786
            5   C8y C    24.8043  -16.6146
            6   N5x N    24.3268  -18.7106
            7   C8y C    21.8000  -15.2346
            8   C8x C    20.5538  -17.2958
            9   C1b C    23.9135  -19.6773
            10  O5a O    21.4040  -19.7237
            11  N1x N    24.8043  -15.2755
            12  C8x C    26.0154  -16.8941
            13  C8x C    25.5321  -18.9902
            14  C5x C    23.2031  -14.4312
            15  C8x C    20.6063  -14.5126
            16  C8x C    19.3602  -16.5797
            17  N1y N    23.9425  -21.1270
            18  C8x C    26.3823  -18.0760
            19  O5x O    23.1971  -12.9056
            20  C8x C    19.3894  -15.1823
            21  C1x C    22.6966  -21.8664
            22  C1x C    25.2760  -21.8198
            23  C1x C    22.6558  -23.3105
            24  C1x C    25.2353  -23.2696
            25  N1y N    23.9950  -24.0149
            26  C1a C    24.0183  -25.4647
            27  X   Cl   29.7600  -20.1707
            28  X   Cl   29.7600  -20.1707
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    7  15 1
            15    8  16 2
            16    9  17 1
            17   12  18 2
            18   14  19 2
            19   15  20 2
            20   17  21 1
            21   17  22 1
            22   21  23 1
            23   22  24 1
            24   23  25 1
            25   25  26 1
            26   11  14 1
            27   13  18 1
            28   16  20 1
            29   24  25 1


entry: D01298
name: --- - Potassium gluconate (JAN/USP) - Gluconsan-K (TN)
formula: C6H11O7. K
activity: Replenisher [electrolyte]
remark: Therapeutic category: 3229
kcf:
ATOM        14
            1   O0  O    26.3100  -15.8301 #-
            2   C6a C    25.0994  -16.5309
            3   C1c C    23.8889  -15.8301
            4   C1c C    22.6783  -16.5309
            5   C1c C    21.4678  -15.8301
            6   C1c C    20.2572  -16.5309
            7   C1b C    19.0467  -15.8301
            8   O1a O    17.8361  -16.5309
            9   O6a O    25.0994  -17.9326
            10  O1a O    23.8889  -14.4284
            11  O1a O    22.6783  -17.9326
            12  O1a O    21.4678  -14.4284
            13  O1a O    20.2572  -17.9326
            14  Z   K    28.6957  -15.8654 #+
BOND        12
            1     6   7 1
            2     7   8 1
            3     3   4 1
            4     2   9 2
            5     1   2 1
            6     3  10 1 #Up
            7     4   5 1
            8     4  11 1 #Up
            9     5  12 1 #Up
            10    5   6 1
            11    6  13 1 #Down
            12    2   3 1


entry: D01299
name: --- - Chlormadinone acetate (JP15/USAN) - Lutoral (TN)
formula: C23H29ClO4
activity: Progestin
remark: Therapeutic category: 2478
comment: Component of Lutedion (TN)
kcf:
ATOM        28
            1   C1z C    29.5135  -13.9755
            2   C1z C    28.3251  -14.6454
            3   C1x C    30.6906  -14.6571
            4   O7a O    30.6906  -13.2820
            5   C5a C    29.5021  -12.6004
            6   C1y C    28.3834  -16.0148
            7   C1x C    27.1539  -13.9579
            8   C1a C    28.3777  -13.2763
            9   C1x C    30.6790  -16.0264
            10  C7a C    31.8793  -13.9638
            11  C1a C    28.3018  -11.9069
            12  O5a O    30.6849  -11.9012
            13  C1y C    27.1306  -16.6964
            14  C1x C    25.9594  -14.6280
            15  C1a C    33.0620  -13.2763
            16  O7a O    31.8735  -15.3389
            17  C1y C    25.9478  -15.9972
            18  C2x C    27.1306  -18.0657
            19  C1z C    24.7591  -16.6790
            20  C2y C    25.9361  -18.7474
            21  C2y C    24.7534  -18.0541
            22  C1x C    23.5765  -15.9915
            23  C1a C    24.7477  -15.3097
            24  X   Cl   25.9245  -20.1167
            25  C2x C    23.5765  -18.7474
            26  C1x C    22.3820  -16.6790
            27  C5x C    22.3820  -18.0541
            28  O5x O    21.1933  -18.7357
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    7  14 1
            14   10  15 1
            15   10  16 2
            16   13  17 1
            17   13  18 1
            18   17  19 1
            19   18  20 2
            20   19  21 1
            21   19  22 1
            22   19  23 1 #Up
            23   20  24 1
            24   21  25 2
            25   22  26 1
            26   25  27 1
            27   27  28 2
            28    6   9 1
            29   14  17 1
            30   20  21 1
            31   26  27 1


entry: D01300
name: --- - Clinofibrate (JP15) - Lipoclin (TN)
formula: C28H36O6
remark: Therapeutic category: 2183
kcf:
ATOM        34
            1   C8x C    13.2300  -19.5300
            2   C8y C    13.2300  -20.9300
            3   C8x C    14.4424  -21.6300
            4   C8x C    15.6549  -20.9300
            5   C8y C    15.6549  -19.5300
            6   C8x C    14.4424  -18.8300
            7   C8x C    18.0797  -20.9300
            8   C8y C    18.0797  -19.5300
            9   C1z C    16.8673  -18.8300
            10  C8x C    19.2922  -21.6300
            11  C8y C    20.5046  -20.9300
            12  C8x C    20.5046  -19.5300
            13  C8x C    19.2922  -18.8300
            14  C1x C    18.0797  -18.1300
            15  C1x C    18.0797  -16.7300
            16  C1x C    16.8673  -16.0300
            17  C1x C    15.6549  -16.7300
            18  C1x C    15.6549  -18.1300
            19  O2a O    12.0176  -21.6300
            20  C1d C    10.8221  -20.9396
            21  O2a O    21.7211  -21.6323
            22  C1d C    22.9186  -20.9408
            23  C6a C     9.6347  -21.6251
            24  O6a O     8.4435  -20.9371
            25  C6a C    24.1049  -21.6257
            26  O6a O     9.6345  -23.0298
            27  O6a O    25.2967  -20.9374
            28  O6a O    24.1051  -23.0298
            29  C1a C    12.0345  -20.2396
            30  C1b C     9.6096  -20.2396
            31  C1b C    24.1310  -20.2408
            32  C1a C    24.1310  -18.8408
            33  C1a C    21.7062  -20.2408
            34  C1a C     9.5989  -18.8300
BOND        36
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20    9  18 1
            21    2  19 1
            22   19  20 1
            23   11  21 1
            24   21  22 1
            25   20  23 1
            26   23  24 1
            27   22  25 1
            28   23  26 2
            29   25  27 1
            30   25  28 2
            31   20  29 1
            32   20  30 1
            33   22  31 1
            34   31  32 1
            35   22  33 1
            36   30  34 1


entry: D01301
name: --- - Metenolone enanthate (JP15) - Methenolone enanthate (USAN) - Primobolan depot (TN)
formula: C27H42O3
activity: Anabolic
remark: Therapeutic category: 2449
kcf:
ATOM        30
            1   C2x C    18.5399  -20.7494
            2   C5x C    18.5399  -22.1244
            3   C1x C    19.7335  -22.8119
            4   C2y C    19.7335  -20.0619
            5   C1z C    20.9202  -20.7494
            6   C1y C    20.9144  -22.1244
            7   C1x C    22.1022  -22.8169
            8   C1x C    23.2959  -22.1346
            9   C1y C    22.1139  -20.0669
            10  C1y C    23.2959  -20.7624
            11  C1x C    23.3184  -18.0196
            12  C1x C    22.1252  -18.6956
            13  C1z C    24.5005  -18.7151
            14  C1y C    24.4839  -20.0823
            15  C1x C    26.8520  -20.1109
            16  C1x C    26.8685  -18.7438
            17  C1y C    25.6929  -18.0458
            18  C1a C    20.9079  -19.3745
            19  C1a C    24.4912  -17.3396
            20  O7a O    25.6857  -16.6661
            21  O5x O    17.3494  -22.8124
            22  C1a C    19.7352  -18.6870
            23  C7a C    26.8729  -15.9725
            24  O7a O    26.8659  -14.5975
            25  C1b C    28.0672  -16.6538
            26  C1b C    29.2545  -15.9603
            27  C1b C    30.4487  -16.6416
            28  C1b C    31.6360  -15.9480
            29  C1b C    32.8303  -16.6293
            30  C1a C    34.0175  -15.9358
BOND        33
            1    15  16 1
            2    16  17 1
            3    17  13 1
            4    14  15 1
            5     8  10 1
            6     5  18 1 #Up
            7     9   5 1
            8    13  19 1 #Up
            9     5   4 1
            10   17  20 1 #Up
            11    4   1 2
            12    1   2 1
            13    9  10 1
            14    2  21 2
            15   10  14 1
            16    4  22 1
            17   13  11 1
            18   11  12 1
            19   20  23 1
            20   12   9 1
            21   23  24 2
            22    2   3 1
            23   23  25 1
            24    3   6 1
            25   25  26 1
            26    5   6 1
            27   26  27 1
            28    6   7 1
            29   27  28 1
            30    7   8 1
            31   28  29 1
            32   13  14 1
            33   29  30 1


entry: D01302
name: --- - Hydralazine hydrochloride (JP15/USP) - Apresoline (TN)
formula: C8H8N4. HCl
activity: Antihypertensive
remark: Therapeutic category: 2142
comment: Component of Esidri (TN)
kcf:
ATOM        13
            1   C8x C    19.0523  -16.4104
            2   C8x C    19.0523  -17.8110
            3   C8x C    20.2682  -18.5113
            4   C8x C    20.2682  -15.7101
            5   C8y C    21.4769  -16.4104
            6   C8y C    21.4710  -17.8110
            7   C8x C    22.6809  -18.5163
            8   N5x N    23.8968  -17.8213
            9   N5x N    23.9027  -16.4208
            10  C8y C    22.6928  -15.7154
            11  N1b N    22.6987  -14.3148
            12  N1a N    23.9148  -13.6196
            13  X   Cl   28.1844  -16.5518
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   6 2
            4     5   4 2
            5     5   6 1
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10   10   5 1
            11    4   1 1
            12   10  11 1
            13   11  12 1


entry: D01303
name: --- - Flunarizine hydrochloride (JAN/USAN)
formula: C26H26F2N2. 2HCl
activity: Vasodilator
remark: Therapeutic category: 2190
kcf:
ATOM        32
            1   C1c C    32.9047  -20.4996
            2   C8y C    31.6903  -21.1975
            3   C8y C    34.1164  -21.2023
            4   C8x C    30.4848  -20.4979
            5   C8x C    29.2704  -21.1960
            6   C8y C    29.2677  -22.5966
            7   C8x C    30.4794  -23.2991
            8   C8x C    31.6936  -22.6012
            9   C8x C    34.1060  -22.6017
            10  C8x C    35.3177  -23.3044
            11  C8y C    36.5320  -22.6066
            12  C8x C    36.5349  -21.2060
            13  C8x C    35.3231  -20.5033
            14  X   F    28.0533  -23.2944
            15  X   F    37.7437  -23.3093
            16  N1y N    32.9074  -19.0988
            17  C1x C    34.1218  -18.4009
            18  C1x C    34.1245  -17.0003
            19  N1y N    32.9130  -16.2976
            20  C1x C    31.6987  -16.9954
            21  C1x C    31.6959  -18.3960
            22  C1b C    32.9158  -14.8970
            23  C2b C    34.1301  -14.1989
            24  C2b C    35.3684  -14.9170
            25  C8y C    36.5712  -14.2255
            26  C8x C    37.7523  -14.9103
            27  C8x C    38.9660  -14.2126
            28  C8x C    38.9686  -12.8126
            29  C8x C    37.7876  -12.1278
            30  C8x C    36.5739  -12.8255
            31  X   Cl   38.3236  -17.8908
            32  X   Cl   38.3236  -17.8908
BOND        33
            1    16  17 1
            2    17  18 1
            3    18  19 1
            4    19  20 1
            5    20  21 1
            6    21  16 1
            7     1   2 1
            8    19  22 1
            9     1   3 1
            10    3   9 2
            11    9  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13   3 1
            16    2   4 2
            17    6  14 1
            18   22  23 1
            19    4   5 1
            20   11  15 1
            21    5   6 2
            22    1  16 1
            23    6   7 1
            24    7   8 2
            25    8   2 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   25  30 1


entry: D01304
name: --- - Amezinium metilsulfate (JAN) - Risumic (TN)
formula: C11H12N3O. CH3SO4
remark: Therapeutic category: 2190
comment: norepinephrine reuptake inhibitor
kcf:
ATOM        21
            1   C8x C    19.2675  -15.5914
            2   C8y C    19.2675  -16.9909
            3   C8x C    20.4825  -17.6907
            4   C8x C    21.6903  -16.9909
            5   C8x C    21.6903  -15.5914
            6   C8x C    20.4825  -14.8916
            7   N5y N    18.0558  -17.6914 #+
            8   C8y C    16.8462  -16.9886
            9   C8x C    15.6345  -17.6890
            10  C8y C    15.6353  -19.0886
            11  C8x C    16.8477  -19.7877
            12  N5x N    18.0593  -19.0874
            13  O2a O    16.8477  -15.3790
            14  N1a N    14.4236  -19.7890
            15  C1a C    18.0605  -14.6806
            16  S4a S    26.7406  -17.6792
            17  O2a O    25.3541  -17.6792
            18  O3c O    26.7347  -16.0588
            19  O3c O    26.7347  -19.0363
            20  O0  O    28.0275  -17.6792 #-
            21  C1a C    24.1726  -17.0006
BOND        21
            1     7   8 2
            2     8   9 1
            3     9  10 2
            4    10  11 1
            5    11  12 2
            6    12   7 1
            7     5   6 2
            8     8  13 1
            9     6   1 1
            10   10  14 1
            11   13  15 1
            12    2   7 1
            13    1   2 2
            14    2   3 1
            15    3   4 2
            16    4   5 1
            17   16  17 1
            18   16  18 2
            19   16  19 2
            20   16  20 1
            21   17  21 1


entry: D01305
name: --- - Feprazone (JAN)
formula: C20H20N2O2
remark: Therapeutic category: 1144
kcf:
ATOM        24
            1   C1y C    31.7818  -17.7303
            2   C5x C    32.2179  -16.3986
            3   N1y N    31.0813  -15.5721
            4   N1y N    29.9449  -16.3986
            5   C5x C    30.3809  -17.7303
            6   C8y C    31.0813  -14.1711
            7   O5x O    33.5510  -15.9676
            8   O5x O    29.5586  -18.8645
            9   C8x C    32.2984  -13.4772
            10  C8x C    32.2984  -12.0763
            11  C8x C    31.0851  -11.3758
            12  C8x C    29.8718  -12.0763
            13  C8x C    29.8719  -13.4772
            14  C1b C    32.9848  -18.4306
            15  C2b C    34.1948  -17.7301
            16  C2c C    35.4047  -18.4306
            17  C1a C    36.6146  -17.7301
            18  C1a C    35.4047  -19.8316
            19  C8y C    28.6213  -15.9704
            20  C8x C    28.6213  -14.5704
            21  C8x C    27.4088  -13.8704
            22  C8x C    26.1964  -14.5704
            23  C8x C    26.1964  -15.9704
            24  C8x C    27.4088  -16.6704
BOND        26
            1     6   9 2
            2     9  10 1
            3    10  11 2
            4    11  12 1
            5    12  13 2
            6    13   6 1
            7     2   3 1
            8     2   7 2
            9     3   4 1
            10    5   8 2
            11    4   5 1
            12    1  14 1
            13    5   1 1
            14   14  15 1
            15   15  16 2
            16    3   6 1
            17   16  17 1
            18    1   2 1
            19   16  18 1
            20    4  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   19  24 2


entry: D01306
name: --- - Troxipide (JAN) - Aplace (TN)
formula: C15H22N2O4
remark: Therapeutic category: 2329
kcf:
ATOM        21
            1   C8y C    21.6300  -16.4500
            2   C8x C    21.6300  -17.8500
            3   C8y C    20.4400  -18.5500
            4   C8y C    19.2500  -17.8500
            5   C8y C    19.2500  -16.4500
            6   C8x C    20.4400  -15.7500
            7   O2a O    17.9900  -15.7500
            8   C1a C    17.9900  -14.3500
            9   O2a O    17.9900  -18.5500
            10  C1a C    16.8000  -17.8500
            11  O2a O    20.4400  -19.9500
            12  C1a C    19.1800  -20.6500
            13  C5a C    22.8200  -15.7500
            14  O5a O    22.8200  -14.3500
            15  N1b N    24.0800  -16.4500
            16  C1y C    25.2700  -15.7500
            17  C1x C    25.2700  -14.3500
            18  N1x N    26.4600  -13.6500
            19  C1x C    27.7200  -14.3500
            20  C1x C    27.7200  -15.7500
            21  C1x C    26.4600  -16.4500
BOND        22
            1     4   5 1
            2     3  11 1
            3     5   6 2
            4    11  12 1
            5     6   1 1
            6     1  13 1
            7    13  14 2
            8     5   7 1
            9    13  15 1
            10    1   2 2
            11   15  16 1
            12    7   8 1
            13    2   3 1
            14    4   9 1
            15    3   4 2
            16    9  10 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  16 1


entry: D01307
name: --- - Midodrine hydrochloride (JAN/USAN) - Pro-Amatine (TN)
formula: C12H18N2O4. HCl
activity: Antihypotensive
remark: Therapeutic category: 2160
kcf:
ATOM        19
            1   C8x C    21.0623  -18.0861
            2   C8y C    21.0623  -19.4862
            3   C8x C    22.2778  -20.1863
            4   C8x C    23.4862  -19.4862
            5   C8y C    23.4862  -18.0861
            6   C8y C    22.2778  -17.3860
            7   O2a O    19.8500  -20.1870
            8   C1a C    18.6373  -19.4876
            9   O2a O    24.6993  -17.3870
            10  C1a C    25.9112  -18.0879
            11  C1c C    22.2795  -15.9859
            12  C1b C    23.4929  -15.2873
            13  N1b N    24.7047  -15.9889
            14  C5a C    25.9181  -15.2904
            15  C1b C    27.1297  -15.9920
            16  O5a O    25.9198  -13.8903
            17  O1a O    21.0679  -15.2843
            18  N1a N    28.3432  -15.2934
            19  X   Cl   29.7150  -17.6604
BOND        18
            1     5   9 1
            2     2   3 1
            3     9  10 1
            4     3   4 2
            5     6  11 1
            6     4   5 1
            7    11  12 1
            8     5   6 2
            9    12  13 1
            10    6   1 1
            11   13  14 1
            12   14  15 1
            13    2   7 1
            14   14  16 2
            15   11  17 1
            16    7   8 1
            17   15  18 1
            18    1   2 2


entry: D01308
name: --- - Halcinonide (JAN/USP) - Halog (TN)
formula: C24H32ClFO5
activity: Anti-inflammatory [topical]
remark: Therapeutic category: 2646
kcf:
ATOM        31
            1   C1x C    10.2900  -14.4200
            2   C5x C    10.2900  -15.8200
            3   C2x C    11.5024  -16.5200
            4   C2y C    12.7149  -15.8200
            5   C1z C    12.7149  -14.4200
            6   C1x C    11.5024  -13.7200
            7   C1x C    13.9273  -16.5200
            8   C1x C    15.1397  -15.8200
            9   C1y C    15.1397  -14.4200
            10  C1z C    13.9273  -13.7200
            11  C1y C    16.3522  -13.7200
            12  C1z C    16.3522  -12.3200
            13  C1x C    15.1397  -11.6200
            14  C1y C    13.9273  -12.3200
            15  C1x C    17.6837  -14.1526
            16  C1y C    18.5066  -13.0200
            17  C1z C    17.6837  -11.8874
            18  O2x O    19.8381  -12.5874
            19  C1z C    19.8381  -11.1874
            20  O2x O    18.5066  -10.7547
            21  C1a C    12.7149  -13.0200
            22  O1a O    12.7169  -11.6212
            23  C1a C    16.3522  -10.9200
            24  C5a C    17.6837   -9.7874
            25  X   F    13.9273  -15.1200
            26  O5x O     9.0776  -16.5200
            27  C1a C    21.2381  -11.1874
            28  C1a C    19.8381   -9.7874
            29  O5a O    18.9101   -9.0790
            30  C1b C    16.4964   -9.1020
            31  X   Cl   15.3027   -9.7915
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   16  18 1 #Down
            22   18  19 1
            23   19  20 1
            24   17  20 1 #Down
            25    5  21 1 #Up
            26   14  22 1 #Up
            27   12  23 1 #Up
            28   17  24 1 #Up
            29   10  25 1 #Down
            30    2  26 2
            31   19  27 1
            32   19  28 1
            33   24  29 2
            34   24  30 1
            35   30  31 1


entry: D01309
name: --- - Doxifluridine (JP15) - Furtulon (TN)
formula: C9H11FN2O5
remark: Therapeutic category: 4223
kcf:
ATOM        17
            1   C1y C    21.8192  -18.9597
            2   N4y N    22.8648  -16.7836
            3   O2x O    20.7212  -18.1624
            4   C1y C    21.4206  -20.2082
            5   C8y C    21.7146  -16.0973
            6   C8x C    24.0412  -16.0973
            7   C1y C    19.6559  -18.9336
            8   C1y C    20.0873  -20.2082
            9   O1a O    22.2179  -21.2930
            10  N4x N    21.7146  -14.7445
            11  O5x O    20.5512  -16.7574
            12  C8y C    24.0412  -14.7445
            13  O1a O    19.3030  -21.2995
            14  C8y C    22.8714  -14.0713
            15  O5x O    22.8648  -12.7381
            16  C1a C    18.4031  -18.5337
            17  X   F    25.2125  -14.0671
BOND        18
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 1
            6     4   8 1
            7     4   9 1 #Down
            8     5  10 1
            9     5  11 2
            10    6  12 2
            11    8  13 1 #Down
            12   10  14 1
            13   14  15 2
            14    7   8 1
            15   12  14 1
            16    7  16 1 #Up
            17    1   2 1 #Up
            18   12  17 1


entry: D01310
name: --- - Secobarbital sodium (JAN/USP) - Seconal sodium (TN)
formula: C12H17N2O3. Na
activity: Sedative-hypnotic
remark: Therapeutic category: 1125
kcf:
ATOM        18
            1   Z   Na   29.6499  -20.4862 #+
            2   C1z C    25.4921  -17.8486
            3   C5x C    25.4921  -19.2487
            4   C5x C    24.2767  -17.1486
            5   N1x N    23.0684  -17.8486
            6   C5x C    23.0684  -19.2487
            7   N2x N    24.2767  -19.9487 #-
            8   O5x O    21.8554  -19.9478
            9   O5x O    26.7043  -19.9494
            10  O5x O    24.2750  -15.7485
            11  C1b C    25.4850  -16.4485
            12  C2b C    26.6940  -15.7424
            13  C2a C    26.6801  -14.3414
            14  C1c C    26.8922  -17.8486
            15  C1b C    27.5922  -16.6362
            16  C1a C    27.5922  -19.0611
            17  C1b C    28.9923  -16.6362
            18  C1a C    29.6923  -15.4237
BOND        17
            1     3   9 2
            2     3   2 1
            3     4  10 2
            4     2   4 1
            5     2  11 1
            6     4   5 1
            7    11  12 1
            8     5   6 1
            9    12  13 2
            10    6   7 1
            11    2  14 1
            12    7   3 1
            13   14  15 1
            14   14  16 1
            15    6   8 2
            16   15  17 1
            17   17  18 1


entry: D01311
name: --- - Metrizamide (JAN/USAN) - Amipaque (TN)
formula: C18H22I3N3O8
activity: Diagnostic aid [radiopaque medium]
remark: Therapeutic category: 7211
kcf:
ATOM        32
            1   C8y C    23.5286  -16.1766
            2   C8y C    23.5286  -17.5769
            3   C8y C    24.7442  -18.2770
            4   C8y C    25.9527  -17.5769
            5   C8y C    25.9527  -16.1766
            6   C8y C    24.7442  -15.4765
            7   X   I    27.1658  -15.4774
            8   X   I    24.6759  -19.6772
            9   X   I    22.3163  -15.4758
            10  N1b N    24.6759  -14.0763
            11  C5a C    25.9594  -13.3777
            12  O5a O    25.9613  -11.9775
            13  C1a C    27.1713  -14.0793
            14  N1c N    27.1658  -18.2760
            15  C1a C    27.1669  -19.6762
            16  C5a C    28.3779  -17.5750
            17  C1a C    29.5910  -18.2743
            18  O5a O    28.3768  -16.1748
            19  C5a C    22.3163  -18.2775
            20  N1b N    21.1034  -17.5781
            21  O5a O    22.3171  -19.6777
            22  C1y C    19.8911  -18.2788
            23  C1y C    18.6823  -17.5760
            24  O2x O    17.4701  -18.2768
            25  C1y C    17.4708  -19.6770
            26  C1y C    18.6838  -20.3765
            27  C1y C    19.8960  -19.6759
            28  C1b C    16.2585  -20.3778
            29  O1a O    16.2593  -21.7781
            30  O1a O    18.6845  -21.7767
            31  O1a O    21.1101  -20.3734
            32  O1a O    18.6840  -16.1760
BOND        33
            1    14  16 1
            2     3   8 1
            3    16  17 1
            4     2   3 1
            5    16  18 2
            6     1   9 1
            7     2  19 1
            8     3   4 2
            9    19  20 1
            10    6  10 1
            11   19  21 2
            12    4   5 1
            13   22  20 1 #Down
            14   10  11 1
            15    5   6 2
            16   11  12 2
            17    6   1 1
            18   11  13 1
            19   22  23 1
            20   23  24 1
            21   24  25 1
            22   25  26 1
            23   26  27 1
            24   27  22 1
            25   25  28 1 #Up
            26    4  14 1
            27   28  29 1
            28    5   7 1
            29   26  30 1 #Down
            30   14  15 1
            31   27  31 1 #Up
            32    1   2 2
            33   23  32 1 #Either


entry: D01312
name: --- - Iodoxamic acid (JAN/USAN) - Endobil (TN)
formula: C26H26I6N2O10
activity: Diagnostic aid [radiopaque medium]
remark: Therapeutic category: 7219
kcf:
ATOM        44
            1   C8y C     6.1545  -14.8880
            2   C8x C     6.1545  -16.2894
            3   C8y C     7.3710  -16.9901
            4   C8y C     8.5804  -16.2894
            5   C8y C     8.5804  -14.8880
            6   C8y C     7.3710  -14.1874
            7   X   I     9.7946  -14.1884
            8   X   I     4.9413  -14.1869
            9   X   I     7.3729  -18.3914
            10  C6a C     7.3729  -12.7860
            11  O6a O     8.5874  -12.0869
            12  O6a O     6.1601  -12.0838
            13  N1b N     9.7946  -16.9892
            14  C5a C    11.0077  -16.2877
            15  C1b C    12.2219  -16.9873
            16  O5a O    11.0067  -14.8863
            17  C1b C    13.4348  -16.2858
            18  O2a O    14.6490  -16.9856
            19  C1b C    15.8577  -16.2824
            20  C1b C    17.0680  -16.9831
            21  O2a O    18.2782  -16.2824
            22  C1b C    19.4885  -16.9831
            23  C1b C    20.6987  -16.2824
            24  O2a O    21.9090  -16.9831
            25  C1b C    23.1192  -16.2824
            26  C1b C    24.3295  -16.9831
            27  O2a O    25.5397  -16.2824
            28  C1b C    26.7500  -16.9831
            29  C1b C    27.9602  -16.2824
            30  C5a C    29.1705  -16.9831
            31  N1b N    30.3807  -16.2824
            32  C8y C    31.5910  -16.9831
            33  O5a O    29.1705  -18.3844
            34  C8y C    31.5893  -18.3815
            35  C8y C    32.7995  -19.0822
            36  C8y C    34.0115  -18.3844
            37  C8x C    34.0132  -16.9860
            38  C8y C    32.8029  -16.2853
            39  X   I    32.8046  -14.8840
            40  X   I    35.2243  -19.0865
            41  X   I    30.3750  -19.0807
            42  C6a C    32.7980  -20.4836
            43  O6a O    31.5835  -21.1827
            44  O6a O    34.0106  -21.1856
BOND        45
            1    21  22 1
            2    10  11 1
            3    22  23 1
            4     5   6 2
            5    23  24 1
            6    10  12 2
            7    24  25 1
            8     6   1 1
            9    25  26 1
            10    4  13 1
            11   26  27 1
            12   27  28 1
            13   13  14 1
            14   28  29 1
            15    5   7 1
            16   29  30 1
            17   14  15 1
            18   30  31 1
            19    1   2 2
            20   31  32 1
            21   14  16 2
            22   30  33 2
            23    1   8 1
            24   15  17 1
            25    2   3 1
            26   17  18 1
            27    3   9 1
            28   32  34 2
            29   34  35 1
            30   35  36 2
            31   36  37 1
            32   37  38 2
            33   38  32 1
            34   18  19 1
            35   38  39 1
            36    3   4 2
            37   36  40 1
            38   19  20 1
            39   34  41 1
            40    6  10 1
            41   35  42 1
            42   20  21 1
            43   42  43 1
            44    4   5 1
            45   42  44 2


entry: D01313
name: --- - Iobenzamic acid (JAN/USAN) - Osbil (TN)
formula: C16H13I3N2O3
activity: Dignostic aid [radiopaque medium, cholecystographic]
remark: Therapeutic category: 7219
kcf:
ATOM        24
            1   C8y C    27.6687  -16.5321
            2   C8y C    27.6687  -17.9324
            3   C8y C    26.4531  -18.6325
            4   C8y C    25.2447  -17.9324
            5   C8y C    25.2447  -16.5321
            6   C8x C    26.4531  -15.8320
            7   X   I    24.0316  -15.8329
            8   X   I    28.8811  -15.8313
            9   X   I    26.4514  -20.0328
            10  C5a C    24.0316  -18.6317
            11  N1c N    22.8194  -17.9305
            12  O5a O    24.0304  -20.0319
            13  C8y C    21.6062  -18.6298
            14  C1b C    22.8204  -16.5303
            15  C1b C    21.6083  -15.8293
            16  C6a C    21.6094  -14.4291
            17  O6a O    20.3973  -13.7281
            18  O6a O    22.8225  -13.7298
            19  C8x C    21.6072  -20.0253
            20  C8x C    20.3940  -20.7244
            21  C8x C    19.1820  -20.0234
            22  C8x C    19.1830  -18.6232
            23  C8x C    20.3961  -17.9239
            24  N1a N    28.8811  -18.6332
BOND        25
            1    10  12 2
            2     6   1 1
            3    11  13 1
            4    11  14 1
            5     5   7 1
            6    14  15 1
            7     1   2 2
            8    15  16 1
            9     1   8 1
            10   16  17 2
            11    2   3 1
            12   16  18 1
            13    3   9 1
            14    3   4 2
            15    4  10 1
            16    4   5 1
            17   10  11 1
            18   13  19 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  13 1
            24    5   6 2
            25    2  24 1


entry: D01314
name: --- - Dibenzepin hydrochloride (JAN/USAN)
formula: C18H21N3O. HCl
activity: Antidepressant
kcf:
ATOM        23
            1   C5x C    17.9134  -17.1594
            2   C8y C    17.0713  -16.0498
            3   C8y C    17.4065  -14.6930
            4   N1y N    18.6675  -14.1149
            5   N1y N    19.3192  -17.1846
            6   C8y C    19.9211  -14.7372
            7   C8y C    20.2076  -16.1059
            8   C8x C    16.3994  -13.7246
            9   C8x C    15.0574  -14.1127
            10  C8x C    14.7222  -15.4695
            11  C8x C    15.7293  -16.4376
            12  C8x C    21.5388  -16.5430
            13  C8x C    22.5830  -15.6086
            14  C8x C    22.2966  -14.2399
            15  C8x C    20.9652  -13.8028
            16  C1a C    18.6892  -12.7400
            17  O5x O    17.1917  -18.3590
            18  C1b C    19.9973  -18.4094
            19  C1b C    21.4198  -18.4349
            20  N1c N    22.0875  -19.6406
            21  C1a C    23.5200  -19.6656
            22  C1a C    21.3620  -20.8470
            23  X   Cl   24.5700  -16.9400
BOND        24
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    6  15 2
            18    4  16 1
            19    1  17 2
            20    5  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   20  22 1


entry: D01315
name: --- - Methylbenactyzium bromide (JP15)
formula: C21H28NO3. Br
remark: Therapeutic category: 1241
comment: Component of Glyphyllin G (TN)
kcf:
ATOM        26
            1   X   Br   30.7762  -15.8219 #-
            2   O7a O    25.5850  -19.4172
            3   C1b C    25.6000  -18.0173
            4   C1b C    26.8332  -17.3683
            5   N1d N    26.8409  -15.9685 #+
            6   C1b C    25.8021  -15.2181
            7   C1b C    28.1748  -15.3124
            8   C1a C    28.1073  -16.6424
            9   C1a C    28.1125  -13.9127
            10  C1a C    25.8334  -13.8183
            11  C8x C    20.6822  -22.2133
            12  C8x C    20.6822  -23.6142
            13  C8x C    21.8992  -24.3180
            14  C8x C    23.1092  -23.6142
            15  C8y C    23.1092  -22.2133
            16  C8x C    21.8992  -21.5164
            17  C1d C    24.3236  -21.5174
            18  C8y C    25.5300  -22.2152
            19  C8x C    25.5703  -23.6140
            20  C8x C    26.7371  -24.3188
            21  C8x C    27.9517  -23.6158
            22  C8x C    27.9527  -22.2150
            23  C8x C    26.7391  -21.5173
            24  O1a O    24.3143  -22.9173
            25  C7a C    24.2587  -20.1166
            26  O7a O    23.1174  -19.4082
BOND        26
            1    11  12 2
            2    12  13 1
            3    13  14 2
            4    14  15 1
            5    15  16 2
            6    16  11 1
            7    15  17 1
            8     7   9 1
            9    17  18 1
            10    4   5 1
            11    6  10 1
            12    2   3 1
            13    5   6 1
            14   18  19 2
            15   19  20 1
            16   20  21 2
            17   21  22 1
            18   22  23 2
            19   23  18 1
            20    5   7 1
            21   17  24 1
            22    3   4 1
            23   17  25 1
            24   25   2 1
            25    5   8 1
            26   25  26 2


entry: D01316
name: --- - Mexazolam (JAN) - Melex (TN)
formula: C18H16Cl2N2O2
remark: Therapeutic category: 1124
kcf:
ATOM        24
            1   N1x N    26.2190  -14.1100
            2   C8x C    21.9380  -17.8783
            3   C8x C    21.9380  -19.2411
            4   C8x C    23.1212  -19.9226
            5   C8y C    24.2974  -19.2411
            6   C8y C    24.2974  -17.8783
            7   C8x C    23.1212  -17.1968
            8   C1z C    25.4782  -17.1977
            9   C8y C    24.6866  -16.2917
            10  C8y C    24.6922  -14.9815
            11  C8x C    23.5530  -16.9695
            12  C8x C    23.5472  -14.3207
            13  C8y C    22.4080  -16.3087
            14  C1x C    27.7683  -16.4455
            15  C8x C    22.4023  -14.9872
            16  C5x C    27.7626  -14.9131
            17  X   Cl   21.2292  -16.9928
            18  N1y N    26.9652  -17.1917
            19  O2x O    25.0244  -18.6139
            20  C1x C    26.2310  -19.4828
            21  C1y C    27.4305  -18.6040
            22  X   Cl   25.4782  -19.9218
            23  O5x O    28.9264  -14.2038
            24  C1a C    28.8466  -19.0576
BOND        27
            1     3   4 1
            2     9  11 1
            3    10  12 1
            4    10   1 1
            5    11  13 2
            6    18  14 1
            7    12  15 2
            8     1  16 1
            9    13  15 1
            10   14  16 1
            11   13  17 1
            12    9   8 1
            13    9  10 2
            14    4   5 2
            15    5   6 1
            16    6   7 2
            17    7   2 1
            18   18   8 1
            19    8  19 1
            20   19  20 1
            21   20  21 1
            22   21  18 1
            23    6   8 1
            24    5  22 1
            25   16  23 2
            26    2   3 2
            27   21  24 1


entry: D01317
name: --- - Meclizine hydrochloride (JAN/USP) - Antivert (TN)
formula: C25H27ClN2. 2HCl. H2O
activity: Anti-emetic
remark: Therapeutic category: 1332
kcf:
ATOM        31
            1   X   Cl   29.9459  -19.2427
            2   X   Cl   29.9459  -21.3560
            3   O0  O    34.1799  -19.9472
            4   C1c C    22.1207  -21.8403
            5   N1y N    22.1341  -20.4408
            6   C8y C    20.9011  -22.5284
            7   C8y C    23.3329  -22.5517
            8   C1x C    20.9219  -19.7292
            9   C1x C    23.3539  -19.7467
            10  C8x C    20.9633  -23.9281
            11  C8x C    19.6945  -21.8169
            12  C8x C    23.2961  -23.9513
            13  C8x C    24.5467  -21.8634
            14  C1x C    20.9354  -18.3237
            15  C1x C    23.3671  -18.3470
            16  C8x C    19.7204  -24.6222
            17  C8x C    18.4750  -22.5053
            18  C8x C    24.5665  -24.6685
            19  C8x C    25.7588  -22.5750
            20  N1y N    22.1551  -17.6356
            21  C8x C    18.5083  -23.9048
            22  C8y C    25.7921  -23.9745
            23  C1b C    22.1686  -16.2359
            24  C8y C    20.9758  -15.5345
            25  C8x C    21.0100  -14.1484
            26  C8x C    19.7316  -13.4379
            27  C8x C    18.5122  -14.1293
            28  C8y C    18.5479  -15.5153
            29  C8x C    19.7564  -16.2258
            30  C1a C    17.3249  -16.2088
            31  X   Cl   27.0197  -24.6979
BOND        31
            1     4   5 1
            2     4   6 1
            3     4   7 1
            4     5   8 1
            5     5   9 1
            6     6  10 2
            7     6  11 1
            8     7  12 1
            9     7  13 2
            10    8  14 1
            11    9  15 1
            12   10  16 1
            13   11  17 2
            14   12  18 2
            15   13  19 1
            16   14  20 1
            17   16  21 2
            18   18  22 1
            19   20  23 1
            20   15  20 1
            21   17  21 1
            22   19  22 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 2
            29   24  29 1
            30   28  30 1
            31   22  31 1


entry: D01318
formula: C21H27NO. HCl
activity: Anti-emetic
remark: Therapeutic category: 1339
name:
--- 
- Difenidol hydrochloride (JP15)
- Diphenidol hydrochloride (USAN)
- Cephadol (TN)
- Vontrol (TN)

kcf:
ATOM        24
            1   X   Cl   33.9627  -17.4509
            2   C1d C    28.0031  -17.1421
            3   C8y C    26.7982  -17.8380
            4   C8y C    29.2196  -17.8380
            5   C1b C    28.0089  -15.7501
            6   O1a O    26.6403  -16.2881
            7   C8x C    26.7982  -19.2301
            8   C8x C    25.5992  -17.1421
            9   C8x C    29.2079  -19.2301
            10  C8x C    30.4186  -17.1421
            11  C1b C    29.2196  -15.0541
            12  C8x C    25.5992  -19.9262
            13  C8x C    24.3944  -17.8380
            14  C8x C    30.4129  -19.9262
            15  C8x C    31.6236  -17.8380
            16  C8x C    24.3944  -19.2301
            17  C8x C    31.6177  -19.2301
            18  C1b C    30.4073  -15.7415
            19  N1y N    31.5963  -15.0567
            20  C1x C    32.7854  -15.7449
            21  C1x C    33.9986  -15.0463
            22  C1x C    34.0001  -13.6463
            23  C1x C    32.8110  -12.9580
            24  C1x C    31.5978  -13.6567
BOND        25
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 1
            6     3   8 2
            7     4   9 2
            8     4  10 1
            9     5  11 1
            10    7  12 2
            11    8  13 1
            12    9  14 1
            13   10  15 2
            14   12  16 1
            15   14  17 2
            16   13  16 2
            17   15  17 1
            18   11  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   19  24 1


entry: D01320
name: --- - Molsidomine (JAN/USAN)
formula: C9H14N4O4
activity: Anti-anginal; Vasodilator [coronary]
remark: Therapeutic category: 2172
kcf:
ATOM        17
            1   N1y N    28.2886  -17.5082
            2   C1x C    27.5817  -18.7170
            3   C1x C    28.2750  -19.9334
            4   O2x O    29.6754  -19.9412
            5   C1x C    30.3821  -18.7324
            6   C1x C    29.6888  -17.5159
            7   N5y N    27.5954  -16.2921 #+
            8   N5x N    28.0311  -14.9619
            9   O2x O    26.8956  -14.1360
            10  C8y C    25.7603  -14.9619
            11  C8x C    26.1958  -16.2921
            12  N0  N    24.5488  -14.2563 #-
            13  C7a C    23.3400  -14.9561
            14  O7a O    22.1312  -14.2563
            15  C1b C    20.9224  -14.9561
            16  O7a O    23.3400  -16.3558
            17  C1a C    19.7095  -14.2576
BOND        18
            1     3   4 1
            2     4   5 1
            3     7   8 2
            4     8   9 1
            5     9  10 1
            6    10  11 2
            7    11   7 1
            8     5   6 1
            9    10  12 1
            10    6   1 1
            11   12  13 1
            12   13  14 1
            13    1   7 1
            14   14  15 1
            15    1   2 1
            16   13  16 2
            17    2   3 1
            18   15  17 1


entry: D01321
name: --- - Zotepine (JAN) - Setous (TN)
formula: C18H18ClNOS
remark: Therapeutic category: 1179
kcf:
ATOM        22
            1   O2a O    24.9059  -16.3348
            2   C2y C    24.8989  -17.7225
            3   S2x S    24.3478  -20.8778
            4   C8y C    25.5949  -20.8426
            5   C8y C    23.4662  -20.0367
            6   C8y C    26.5226  -19.9441
            7   C8x C    25.9371  -22.2583
            8   C8y C    23.4662  -18.6853
            9   C8x C    22.2829  -20.7155
            10  C2x C    26.5461  -18.6100
            11  C8x C    27.9266  -20.3210
            12  C8x C    27.2713  -22.6354
            13  C8x C    22.3004  -17.9950
            14  C8x C    21.1054  -20.0251
            15  C8x C    28.2690  -21.6667
            16  C8y C    21.1170  -18.6621
            17  C1b C    26.1112  -15.6470
            18  C1b C    26.1182  -14.2592
            19  N1c N    27.3236  -13.5714
            20  C1a C    27.3305  -12.1837
            21  C1a C    28.5218  -14.2714
            22  X   Cl   19.9219  -17.9570
BOND        24
            1     5   8 2
            2     5   9 1
            3     6  10 1
            4     6  11 1
            5     7  12 2
            6     8   2 1
            7     8  13 1
            8     9  14 2
            9    11  15 2
            10   13  16 2
            11   10   2 2
            12   12  15 1
            13   14  16 1
            14    1  17 1
            15    1   2 1
            16   17  18 1
            17    3   4 1
            18   18  19 1
            19    3   5 1
            20   19  20 1
            21    4   6 2
            22   19  21 1
            23    4   7 1
            24   16  22 1


entry: D01322
name: --- - Triacetyloleandomycin (JAN) - Troleandomycin (USP) - Tao (TN)
formula: C41H67NO15
activity: Antibacterial
remark: Same as: C12753 Therapeutic category: 6149
kcf:
ATOM        57
            1   C1z C    21.0419  -12.6310
            2   C1x C    21.1002  -11.2073
            3   O2x O    22.3239  -11.9250
            4   C1x C    21.0419  -14.0309
            5   C5x C    19.8302  -11.9250
            6   C1y C    22.2597  -14.7193
            7   C1y C    18.6242  -12.6310
            8   O5x O    19.8302  -10.5367
            9   C1y C    22.2597  -16.1194
            10  C1a C    23.4598  -14.0251
            11  C1y C    18.6242  -14.0309
            12  C1a C    17.4123  -11.9250
            13  C1y C    21.0419  -16.8193
            14  O2a O    23.7339  -17.0293
            15  C1y C    17.4123  -14.7193
            16  C1y C    21.0419  -18.2136
            17  C1a C    19.8302  -16.1194
            18  C1y C    25.8399  -16.7900
            19  C1y C    17.4123  -16.1194
            20  C1a C    16.2065  -14.0251
            21  O2a O    22.2597  -18.9078
            22  C1y C    19.8302  -18.9078
            23  C1y C    26.5164  -15.5723
            24  O2x O    26.5576  -17.9842
            25  O7x O    18.6242  -16.8193
            26  C1a C    16.2005  -16.8253
            27  C1y C    22.3456  -20.5820
            28  C7x C    18.6242  -18.2136
            29  C1a C    19.8302  -20.3019
            30  C1y C    27.9107  -15.5487
            31  O7a O    25.7869  -14.3663
            32  C1y C    27.9458  -17.9606
            33  C1x C    22.3456  -21.9879
            34  O2x O    23.5516  -19.8878
            35  O7x O    17.4123  -18.9078
            36  C1x C    28.6224  -16.7429
            37  N1c N    28.5871  -14.3310
            38  C1y C    23.5516  -22.6762
            39  C1y C    24.7576  -20.5820
            40  C1a C    29.9754  -14.3774
            41  C1y C    24.7576  -21.9879
            42  O2a O    23.5576  -24.0704
            43  C1a C    25.9635  -19.8878
            44  O7a O    25.9635  -22.6762
            45  C1a C    22.3516  -24.7703
            46  C7a C    25.7792  -12.9563
            47  C1a C    26.9940  -12.2459
            48  O7a O    24.5564  -12.2594
            49  O7a O    16.6995  -12.9760
            50  C7a C    15.4768  -12.2723
            51  O7a O    15.4749  -10.8648
            52  C1a C    14.2589  -12.9775
            53  C7a C    27.1790  -21.9665
            54  C1a C    28.4014  -22.6641
            55  O7a O    27.1720  -20.5591
            56  C1a C    28.5871  -12.9310
            57  C1a C    28.6749  -19.1754
BOND        60
            1     7  11 1
            2     7  12 1 #Up
            3     9  13 1
            4     9  14 1 #Down
            5    11  15 1
            6    13  16 1
            7    13  17 1 #Down
            8    18  14 1 #Up
            9    15  19 1
            10   15  20 1 #Down
            11   16  21 1 #Down
            12   16  22 1
            13   18  23 1
            14   18  24 1
            15   19  25 1
            16   19  26 1 #Down
            17   27  21 1 #Down
            18   22  28 1
            19   22  29 1 #Up
            20   23  30 1
            21   23  31 1 #Down
            22   24  32 1
            23   27  33 1
            24   27  34 1
            25   28  35 2
            26   30  36 1
            27   30  37 1 #Up
            28   33  38 1
            29   34  39 1
            30   37  40 1
            31   38  41 1
            32   38  42 1 #Up
            33   39  43 1 #Up
            34   41  44 1 #Down
            35   42  45 1
            36    2   3 1
            37   25  28 1
            38   32  36 1
            39   39  41 1
            40   31  46 1
            41    1   2 1
            42   46  47 1
            43    1   3 1 #Up
            44   46  48 2
            45    1   4 1
            46   11  49 1 #Up
            47    1   5 1
            48   49  50 1
            49    4   6 1
            50   50  51 2
            51    5   7 1
            52   50  52 1
            53    5   8 2
            54   44  53 1
            55    6   9 1
            56   53  54 1
            57    6  10 1 #Down
            58   53  55 2
            59   37  56 1
            60   32  57 1 #Up


entry: D01323
name: --- - Azosemide (JAN/USAN) - Diart (TN)
formula: C12H11ClN6O2S2
activity: Diuretic
remark: Therapeutic category: 2139
kcf:
ATOM        23
            1   C8x C    17.6727  -20.0852
            2   C8y C    18.1088  -18.7538
            3   S2x S    16.9723  -17.9271
            4   C8x C    15.8359  -18.7538
            5   C8x C    16.2718  -20.0852
            6   N5x N    20.1037  -14.6239
            7   N5x N    18.7096  -14.6247
            8   N5x N    18.2796  -15.9509
            9   N4x N    19.4080  -16.7694
            10  C8y C    20.5352  -15.9494
            11  C8y C    21.7481  -16.6505
            12  C8y C    21.7481  -18.0514
            13  C8x C    22.9643  -18.7519
            14  C8y C    24.1733  -18.0514
            15  C8y C    24.1733  -16.6505
            16  C8x C    22.9643  -15.9501
            17  N1b N    20.5352  -18.7524
            18  C1b C    19.3218  -18.0526
            19  S4a S    25.3871  -15.9509
            20  X   Cl   25.3871  -18.7509
            21  O3c O    26.5997  -16.6522
            22  N1a N    26.5948  -15.2425
            23  O3c O    24.1679  -15.2496
BOND        25
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5    11  12 2
            6    12  13 1
            7    13  14 2
            8    14  15 1
            9    15  16 2
            10   16  11 1
            11   11  10 1
            12    6   7 1
            13   12  17 1
            14    7   8 2
            15   17  18 1
            16   18   2 1
            17    8   9 1
            18   15  19 1
            19    9  10 1
            20   14  20 1
            21   10   6 2
            22   19  21 2
            23    5   1 1
            24   19  22 1
            25   19  23 2


entry: D01324
name: --- - Mequitazine (JP15) - Kitazemin (TN)
formula: C20H22N2S
remark: Same as: C12755 Therapeutic category: 4413
kcf:
ATOM        23
            1   C1x C    23.4130  -15.6918
            2   N1y N    24.8526  -14.8141
            3   C1y C    22.6816  -14.6444
            4   C1x C    24.8526  -13.5735
            5   C1x C    26.3564  -15.6216
            6   C1y C    24.0978  -13.8077
            7   C1x C    24.1035  -12.8187
            8   C1x C    25.6602  -14.5097
            9   C8x C    17.8213  -17.4339
            10  C8x C    17.8213  -18.8339
            11  C8x C    19.0367  -19.5339
            12  C8x C    19.0367  -16.7339
            13  C8y C    20.2449  -17.4339
            14  C8y C    20.2388  -18.8339
            15  S2x S    21.4483  -19.5392
            16  N1y N    21.4603  -16.7392
            17  C8y C    22.6698  -17.4443
            18  C8y C    22.6570  -18.8407
            19  C8x C    23.8600  -19.5497
            20  C8x C    25.0756  -18.8626
            21  C8x C    25.0883  -17.4662
            22  C8x C    23.8853  -16.7572
            23  C1b C    21.4663  -15.3392
BOND        27
            1    10  11 2
            2    11  14 1
            3    13  12 1
            4    12   9 2
            5     2   5 1
            6     3   6 1
            7     4   7 1
            8     5   8 1
            9    13  14 2
            10   14  15 1
            11   15  18 1
            12   17  16 1
            13   16  13 1
            14    6   7 1
            15    6   8 1
            16    1   2 1
            17    1   3 1
            18    2   4 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  17 1
            25    9  10 1
            26   16  23 1
            27   23   3 1


entry: D01325
name: --- - Tiaprofenic acid (JAN) - Surgam (TN)
formula: C14H12O3S
remark: Therapeutic category: 1149
kcf:
ATOM        18
            1   C8y C    26.6788  -17.9072
            2   C1c C    27.8898  -17.2080
            3   C6a C    29.1008  -17.9072
            4   C1a C    27.8898  -15.8098
            5   O6a O    29.1008  -19.3054
            6   O6a O    30.3116  -17.2080
            7   S2x S    25.5444  -17.0823
            8   C8y C    24.4031  -17.9072
            9   C8x C    24.8382  -19.2432
            10  C8x C    26.2436  -19.2432
            11  C8x C    19.5607  -17.9053
            12  C8x C    19.5607  -19.3036
            13  C8x C    20.7746  -20.0027
            14  C8x C    21.9813  -19.3036
            15  C8y C    21.9813  -17.9053
            16  C8x C    20.7746  -17.2062
            17  C5a C    23.1928  -17.2072
            18  O5a O    23.1938  -15.8089
BOND        19
            1     9  10 1
            2    10   1 2
            3     1   7 1
            4     2   3 1
            5     3   6 1
            6     8   9 2
            7     1   2 1
            8     2   4 1
            9    11  12 2
            10   12  13 1
            11   13  14 2
            12   14  15 1
            13   15  16 2
            14   16  11 1
            15    3   5 2
            16   15  17 1
            17   17   8 1
            18    7   8 1
            19   17  18 2


entry: D01326
name: --- - Aprindine hydrochloride (JAN/USAN) - Aspenon (TN)
formula: C22H30N2. HCl
activity: Cardiac depressant [anti-arrhythmic]
remark: Therapeutic category: 2129
kcf:
ATOM        25
            1   X   Cl   32.7915  -19.2578
            2   N1c N    26.5338  -17.9795
            3   C1b C    26.5338  -16.5753
            4   C1b C    27.7273  -15.8732
            5   C1b C    28.9208  -16.5753
            6   N1c N    30.1845  -15.8732
            7   C1b C    31.3780  -16.5753
            8   C1a C    32.5715  -15.8732
            9   C1b C    30.1845  -14.4692
            10  C1a C    31.3780  -13.7671
            11  C8y C    27.7273  -18.6815
            12  C8x C    27.7273  -20.0856
            13  C8x C    28.9910  -20.7877
            14  C8x C    30.1845  -20.0856
            15  C8x C    30.1845  -18.6815
            16  C8x C    28.9208  -17.9795
            17  C1y C    25.3541  -18.6537
            18  C1x C    25.3481  -20.0476
            19  C1x C    24.0304  -18.2171
            20  C8y C    23.2061  -19.3413
            21  C8y C    24.0205  -20.4726
            22  C8x C    21.9150  -19.3243
            23  C8x C    21.2284  -20.6165
            24  C8x C    21.9395  -21.7455
            25  C8x C    23.3412  -21.7991
BOND        26
            1     3   4 1
            2     7   8 1
            3    11  12 2
            4    12  13 1
            5    13  14 2
            6    14  15 1
            7    15  16 2
            8    16  11 1
            9     6   9 1
            10    4   5 1
            11    9  10 1
            12    2   3 1
            13    2  11 1
            14    5   6 1
            15    6   7 1
            16    2  17 1
            17   17  18 1
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   18  21 1
            22   20  22 2
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   21  25 2


entry: D01327
name: --- - Diflorasone diacetate (JAN/USP) - Florone (TN)
formula: C26H32F2O7
activity: Anti-inflammatory [topical]
remark: Therapeutic category: 2646
kcf:
ATOM        35
            1   C1z C    32.0564  -14.3706
            2   C1z C    30.9003  -15.0167
            3   C1y C    33.2015  -15.0507
            4   C5a C    32.0791  -12.5453
            5   O7a O    34.3069  -13.4125
            6   C1y C    30.8775  -16.3486
            7   C1x C    29.7439  -14.3479
            8   C1a C    30.8889  -13.6621
            9   C1x C    33.1844  -16.3826
            10  C1b C    30.9227  -11.8538
            11  O5a O    33.2580  -11.8878
            12  C7a C    35.6502  -13.4125
            13  C1y C    29.7211  -17.0006
            14  C1y C    28.5932  -14.9941
            15  O7a O    29.7496  -12.5227
            16  C1a C    36.3134  -12.2505
            17  O7a O    36.3248  -14.5802
            18  C1z C    28.5818  -16.3317
            19  C1x C    29.7211  -18.3268
            20  O1a O    27.4370  -14.3365
            21  C7a C    28.5818  -11.8482
            22  C1z C    27.4257  -16.9892
            23  X   F    28.5706  -17.6523
            24  C1y C    28.5706  -18.9900
            25  C1a C    27.4199  -12.5227
            26  O7a O    28.5763  -10.4991
            27  C2y C    27.4199  -18.3211
            28  C2x C    26.2751  -16.3260
            29  C1a C    27.4144  -15.6571
            30  C2x C    26.2751  -18.9844
            31  C2x C    25.1300  -16.9892
            32  C5x C    25.1300  -18.3211
            33  O5x O    23.9738  -18.9786
            34  C1a C    34.5562  -15.0488
            35  X   F    28.5635  -20.3431
BOND        38
            1     1   4 1 #Up
            2     1   5 1 #Down
            3     2   6 1
            4     2   7 1
            5     2   8 1 #Up
            6     3   9 1
            7     4  10 1
            8     4  11 2
            9     5  12 1
            10    6  13 1
            11    7  14 1
            12   10  15 1
            13   12  16 1
            14   12  17 2
            15   13  18 1
            16   13  19 1
            17   14  20 1 #Up
            18   15  21 1
            19   18  22 1
            20   18  23 1 #Down
            21   19  24 1
            22   21  25 1
            23   21  26 2
            24   22  27 1
            25   22  28 1
            26   22  29 1 #Up
            27   27  30 2
            28   28  31 2
            29   30  32 1
            30   32  33 2
            31    6   9 1
            32   14  18 1
            33   24  27 1
            34   31  32 1
            35    3  34 1 #Up
            36    1   2 1
            37    1   3 1
            38   24  35 1 #Down


entry: D01328
name: --- - Clotiazepam (JP15) - Rize (TN)
formula: C16H15ClN2OS
remark: Therapeutic category: 1179
kcf:
ATOM        21
            1   C2y C    20.4334  -14.2894
            2   C8y C    19.5913  -13.1798
            3   C8y C    19.9265  -11.8230
            4   N1y N    21.1875  -11.2449
            5   N2x N    21.8392  -14.3146
            6   C5x C    22.4411  -11.8672
            7   C1x C    22.7276  -13.2359
            8   O5x O    23.4852  -10.9328
            9   C8y C    19.7989  -15.5391
            10  C8x C    18.3973  -15.5391
            11  S2x S    18.7397  -11.0849
            12  C8y C    17.6710  -11.9856
            13  C8x C    18.1973  -13.2802
            14  C8x C    17.6973  -16.7516
            15  C8x C    18.3973  -17.9640
            16  C8x C    19.7989  -17.9640
            17  C8y C    20.4989  -16.7516
            18  X   Cl   21.9098  -16.7517
            19  C1b C    16.2710  -11.9856
            20  C1a C    15.5569  -10.7480
            21  C1a C    21.2092   -9.8700
BOND        23
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 2
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     6   8 2
            9     1   9 1
            10    9  10 1
            11    3  11 1
            12   11  12 1
            13   12  13 2
            14    2  13 1
            15   10  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19    9  17 2
            20   17  18 1
            21   12  19 1
            22   19  20 1
            23    4  21 1


entry: D01329
name: --- - Oxendolone (JAN/USAN) - Prostetin (TN)
formula: C20H30O2
activity: Anti-androgen [benign prostatic hypertrophy]
remark: Therapeutic category: 2479
kcf:
ATOM        22
            1   C1x C    20.3611  -18.0591
            2   C5x C    20.3611  -19.4272
            3   C2x C    21.5489  -20.1113
            4   C1x C    21.5489  -17.3750
            5   C1y C    22.7296  -18.0591
            6   C2y C    22.7238  -19.4272
            7   C1x C    23.9058  -20.1163
            8   C1x C    25.0935  -19.4374
            9   C1y C    23.9175  -17.3799
            10  C1y C    25.0937  -18.0720
            11  C1x C    25.1161  -15.3428
            12  C1x C    23.9287  -16.0154
            13  C1z C    26.2922  -16.0348
            14  C1y C    26.3458  -17.3952
            15  C1x C    28.6321  -17.4237
            16  C1y C    28.6486  -16.0633
            17  C1y C    27.4786  -15.3688
            18  O1a O    27.4952  -14.0008
            19  C1a C    26.3531  -14.6661
            20  O5x O    19.1767  -20.1118
            21  C1b C    29.8417  -15.3937
            22  C1a C    31.0182  -16.0920
BOND        25
            1    11  12 1
            2    12   9 1
            3     2   3 1
            4     3   6 2
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8    13  14 1
            9    15  16 1
            10   16  17 1
            11   17  13 1
            12   14  15 1
            13    8  10 1
            14   17  18 1 #Up
            15    9   5 1
            16   13  19 1 #Up
            17    5   4 1
            18    4   1 1
            19    1   2 1
            20    2  20 2
            21    9  10 1
            22   16  21 1 #Up
            23   10  14 1
            24   21  22 1
            25   13  11 1


entry: D01330
name: --- - Clidanac (JAN)
formula: C16H19ClO2
kcf:
ATOM        19
            1   C1x C     7.1400  -17.1500
            2   C1x C     7.1400  -18.5500
            3   C1x C     8.3524  -19.2500
            4   C1x C     9.5649  -18.5500
            5   C1y C     9.5649  -17.1500
            6   C1x C     8.3524  -16.4500
            7   C8y C    10.7960  -16.4390
            8   C8x C    12.0012  -17.1347
            9   C8y C    13.2135  -16.4346
            10  C8y C    13.2135  -15.0346
            11  C8x C    12.0083  -14.3389
            12  C8y C    10.7959  -15.0390
            13  C1x C    14.5451  -16.8671
            14  C1x C    15.3679  -15.7345
            15  C1y C    14.5449  -14.6019
            16  X   Cl    9.5764  -14.3349
            17  C6a C    14.5449  -13.2019
            18  O6a O    15.7562  -12.5026
            19  O6a O    13.3559  -12.5158
BOND        21
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14    9  13 1
            15   13  14 1
            16   14  15 1
            17   10  15 1
            18   12  16 1
            19   15  17 1
            20   17  18 1
            21   17  19 2


entry: D01331
name: --- - Betamipron (JAN)
formula: C10H11NO3
comment: Component of Carbenin (TN)
kcf:
ATOM        14
            1   C8x C    16.4108  -17.3421
            2   C8x C    16.4108  -18.7446
            3   C8x C    17.6283  -19.4458
            4   C8x C    18.8387  -18.7446
            5   C8y C    18.8387  -17.3421
            6   C8x C    17.6283  -16.6408
            7   C5a C    20.0445  -16.6478
            8   N1b N    21.2557  -17.3490
            9   C1b C    22.4670  -16.6549
            10  C1b C    23.6782  -17.3562
            11  C6a C    24.8895  -16.6621
            12  O6a O    26.1007  -17.3633
            13  O5a O    20.0462  -15.2453
            14  O6a O    24.8925  -15.2596
BOND        14
            1     5   7 1
            2     1   2 2
            3     7   8 1
            4     2   3 1
            5     8   9 1
            6     3   4 2
            7     9  10 1
            8     4   5 1
            9    10  11 1
            10    5   6 2
            11   11  12 1
            12    6   1 1
            13    7  13 2
            14   11  14 2


entry: D01332
name: --- - Ketotifen Fumarate (JP15/USAN) - Zaditen (TN)
formula: C19H19NOS. C4H4O4
activity: Anti-asthmatic
remark: Therapeutic category: 1319 1329 4490
kcf:
ATOM        30
            1   C6a C    24.6487  -16.4831
            2   C2b C    25.8472  -17.1779
            3   O6a O    23.4502  -17.1779
            4   O6a O    24.6487  -15.0994
            5   C2b C    27.0514  -16.4831
            6   C6a C    28.2499  -17.1779
            7   O6a O    29.4484  -16.4831
            8   O6a O    28.2499  -18.5616
            9   C2y C    16.8105  -16.4287
            10  C2y C    16.8035  -17.8139
            11  O5x O    17.5812  -11.8283
            12  C5x C    17.5742  -13.2135
            13  C1x C    19.2023  -14.0368
            14  C8y C    16.0021  -15.4319
            15  C8y C    16.0116  -14.1063
            16  S2x S    14.7537  -13.6875
            17  C8x C    13.9671  -14.7544
            18  C8x C    14.7384  -15.8325
            19  C8y C    17.9491  -16.4457
            20  C8x C    17.9491  -17.8309
            21  C8x C    19.1516  -18.5235
            22  C8x C    20.3471  -17.8309
            23  C8x C    20.3471  -16.4457
            24  C8y C    19.1516  -15.7531
            25  C1x C    15.6031  -18.4966
            26  C1x C    15.5963  -19.8818
            27  N1y N    16.7922  -20.5805
            28  C1x C    17.9954  -19.8939
            29  C1x C    18.0025  -18.5087
            30  C1a C    16.7854  -21.9657
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8    14  15 2
            9    15  16 1
            10   16  17 1
            11   17  18 2
            12   18  14 1
            13   12  13 1
            14    9  10 2
            15   11  12 2
            16   19  20 2
            17   20  21 1
            18   21  22 2
            19   22  23 1
            20   23  24 2
            21   24  19 1
            22   13  24 1
            23   19   9 1
            24   15  12 1
            25   14   9 1
            26   10  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  10 1
            32   27  30 1


entry: D01333
name: --- - Urapidil (JAN) - Ebrantil (TN)
formula: C20H29N5O3
remark: Therapeutic category: 2149 2590
kcf:
ATOM        28
            1   C8x C    17.0199  -22.1795
            2   C8x C    17.0199  -20.7792
            3   C8y C    18.2356  -20.0790
            4   C8y C    19.4442  -20.7792
            5   C8x C    19.4442  -22.1795
            6   C8x C    18.2356  -22.8797
            7   N1y N    20.6573  -20.0798
            8   C1x C    20.6560  -18.6863
            9   C1x C    21.8693  -17.9869
            10  N1y N    23.0816  -18.6881
            11  C1x C    23.0804  -20.0885
            12  C1x C    21.8672  -20.7877
            13  C1b C    24.2947  -17.9888
            14  C1b C    25.5070  -18.6898
            15  C1b C    26.7203  -17.9907
            16  N1b N    27.9325  -18.6917
            17  C8y C    29.1458  -17.9923
            18  C8x C    29.1429  -16.5921
            19  C8y C    30.3562  -15.8928
            20  N4y N    31.5685  -16.5940
            21  C8y C    31.5675  -17.9944
            22  N4y N    30.3542  -18.6936
            23  C1a C    30.3521  -20.0939
            24  O5x O    32.7796  -18.6954
            25  C1a C    32.7818  -15.8947
            26  O5x O    30.3572  -14.4924
            27  O2a O    18.2373  -18.6786
            28  C1a C    17.0553  -17.9940
BOND        30
            1    13  14 1
            2     4   7 1
            3    14  15 1
            4     1   2 2
            5    15  16 1
            6     2   3 1
            7    16  17 1
            8     3   4 2
            9     4   5 1
            10    5   6 2
            11    7   8 1
            12    8   9 1
            13   17  18 2
            14   18  19 1
            15   19  20 1
            16   20  21 1
            17   21  22 1
            18   22  17 1
            19    9  10 1
            20   22  23 1
            21   10  11 1
            22   21  24 2
            23   11  12 1
            24   20  25 1
            25   12   7 1
            26   19  26 2
            27    6   1 1
            28    3  27 1
            29   10  13 1
            30   27  28 1


entry: D01334
name: --- - Ciclacillin (JP15) - Cyclacillin (USAN) - Cyclapen-W (TN) - Vastcillin (TN)
formula: C15H23N3O4S
activity: Antibacterial
remark: Same as: C12766 Therapeutic category: 6131
comment: semisynthetic penicillin: moderate spectrum penicillin
kcf:
ATOM        23
            1   C1y C    27.7658  -15.2155
            2   C5x C    27.7658  -16.6200
            3   N1y N    29.1702  -16.6200
            4   C1y C    29.1702  -15.2155
            5   C1y C    30.5042  -17.0412
            6   C1z C    31.3467  -15.9176
            7   S2x S    30.5042  -14.7942
            8   C1a C    32.3299  -16.9007
            9   C1a C    32.3299  -14.9346
            10  C6a C    30.9957  -18.3752
            11  O6a O    32.3999  -18.3752
            12  O6a O    30.1530  -19.4986
            13  N1b N    26.5721  -14.5134
            14  C5a C    25.3784  -15.2155
            15  O5x O    26.5721  -17.3221
            16  O5a O    25.3784  -16.6200
            17  C1z C    24.1593  -14.5183
            18  N1a N    24.1593  -13.1183
            19  C1x C    22.9469  -13.8183
            20  C1x C    21.7345  -14.5183
            21  C1x C    21.7345  -15.9183
            22  C1x C    22.9469  -16.6183
            23  C1x C    24.1593  -15.9183
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 2
            18   14  17 1
            19   17  18 1
            20   17  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   17  23 1


entry: D01336
name: --- - Carbinoxamine maleate (JAN/USP) - Clistin (TN)
formula: C16H19ClN2O. C4H4O4
activity: Antihistaminic
remark: Therapeutic category: 4411
kcf:
ATOM        28
            1   C6a C    34.1191  -18.0091
            2   C2b C    33.4156  -16.8836
            3   O6a O    33.4156  -19.2049
            4   O6a O    35.4556  -18.0091
            5   C2b C    31.7977  -16.8836
            6   C6a C    31.0942  -18.0091
            7   O6a O    29.7577  -18.0091
            8   O6a O    31.7977  -19.2049
            9   C8x C    19.9093  -17.0242
            10  C8y C    19.9093  -18.4311
            11  C8x C    21.1277  -19.1346
            12  C8x C    22.3462  -18.4311
            13  C8y C    22.3462  -17.0242
            14  C8x C    21.1277  -16.3208
            15  C8x C    24.7830  -18.4311
            16  C8y C    24.7830  -17.0242
            17  C1c C    23.5646  -16.3208
            18  C8x C    26.0014  -19.1346
            19  C8x C    27.2198  -18.4311
            20  C8x C    27.2198  -17.0242
            21  N5x N    26.0014  -16.3208
            22  X   Cl   18.6910  -19.1346
            23  O2a O    23.5646  -14.9139
            24  C1b C    24.7851  -14.2092
            25  C1b C    25.9875  -14.9036
            26  N1c N    27.1801  -14.2151
            27  C1a C    28.3775  -14.9066
            28  C1a C    27.1803  -12.8037
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8     9  10 2
            9    10  11 1
            10   11  12 2
            11   12  13 1
            12   13  14 2
            13    9  14 1
            14   15  16 1
            15   16  17 1
            16   13  17 1
            17   15  18 2
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   16  21 2
            22   10  22 1
            23   17  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   26  28 1


entry: D01337
name: --- - Epoprostenol sodium (JAN/USAN) - Prostacyclin sodium salt - Flolan (TN)
formula: C20H31O5. Na
activity: Inhibitor [platelet]
remark: Therapeutic category: 2190
kcf:
ATOM        26
            1   C1y C    24.5700  -15.7500
            2   C1y C    25.9700  -15.7500
            3   C1x C    26.3900  -14.4200
            4   C2y C    25.2700  -13.5800
            5   O2x O    24.1500  -14.4200
            6   C1x C    24.1500  -17.0800
            7   C1y C    25.2700  -17.9200
            8   C1y C    26.3900  -17.0800
            9   O1a O    25.2700  -19.3200
            10  C2b C    25.2700  -12.1800
            11  C1b C    26.4600  -11.4800
            12  C1b C    27.6500  -12.1800
            13  C1b C    28.8400  -11.4800
            14  C6a C    30.1000  -12.1800
            15  O0  O    31.2900  -11.4800 #-
            16  O6a O    30.1000  -13.5800
            17  C2b C    27.6500  -17.7800
            18  C2b C    28.8400  -17.0800
            19  C1c C    30.0300  -17.7800
            20  C1b C    31.2900  -17.0800
            21  C1b C    32.4800  -17.7800
            22  O1a O    30.0300  -19.1800
            23  C1b C    33.6700  -17.0800
            24  C1b C    34.8600  -17.7800
            25  C1a C    36.0500  -17.0800
            26  Z   Na   32.7600  -11.6200 #+
BOND        26
            1     1   2 1
            2     2   3 1 #Down
            3     3   4 1
            4     4   5 1
            5     1   5 1 #Down
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Down
            11    4  10 2
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 2
            18    8  17 1 #Up
            19   17  18 2
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   19  22 1 #Down
            24   21  23 1
            25   23  24 1
            26   24  25 1


entry: D01338
name: --- - Ipriflavone (JAN) - Osten (TN)
formula: C18H16O3
remark: Therapeutic category: 3999
kcf:
ATOM        21
            1   C8y C    24.3560  -17.0585
            2   C8y C    25.5654  -16.3618
            3   C8x C    25.5654  -14.9615
            4   O2x O    24.3560  -14.2577
            5   C8y C    23.1392  -16.3618
            6   C8y C    23.1392  -14.9615
            7   C8x C    21.9256  -14.2577
            8   C8y C    20.7117  -14.9615
            9   C8x C    20.7117  -16.3618
            10  C8x C    21.9256  -17.0585
            11  O5x O    24.3576  -18.4590
            12  C8y C    26.7797  -17.0577
            13  C8x C    26.7782  -18.4514
            14  C8x C    27.9855  -19.1541
            15  C8x C    29.1988  -18.4495
            16  C8x C    29.1976  -17.0490
            17  C8x C    27.9835  -16.3534
            18  O2a O    19.4981  -14.2577
            19  C1c C    18.2913  -14.9615
            20  C1a C    17.0777  -14.2577
            21  C1a C    18.2913  -16.3618
BOND        23
            1    10   5 1
            2     1  11 2
            3     5   1 1
            4     2  12 1
            5     1   2 1
            6     2   3 2
            7     3   4 1
            8     4   6 1
            9     5   6 2
            10   12  13 2
            11   13  14 1
            12   14  15 2
            13   15  16 1
            14   16  17 2
            15   17  12 1
            16    6   7 1
            17    8  18 1
            18    7   8 2
            19   18  19 1
            20    8   9 1
            21   19  20 1
            22    9  10 2
            23   19  21 1


entry: D01339
name: --- - Midecamycin (JP15) - Medemycin (TN) - MDM
formula: C41H67NO15
remark: Therapeutic category: 6146
kcf:
ATOM        57
            1   C1y C    26.8994  -21.1901
            2   C1y C    27.9964  -21.8318
            3   O2a O    25.8069  -21.8318
            4   C1y C    26.8994  -19.9298
            5   C1y C    29.1054  -21.1901
            6   N1c N    27.9964  -23.0988
            7   C1y C    24.7156  -22.4624
            8   O2x O    27.9964  -19.2992
            9   C1a C    25.8126  -19.2992
            10  C1y C    29.1054  -19.9298
            11  O1a O    30.2035  -21.8318
            12  C1a C    29.0942  -23.7283
            13  C1a C    26.9051  -23.7283
            14  C1x C    24.7156  -23.7227
            15  O2x O    23.6064  -21.8318
            16  O2a O    31.9933  -16.8787
            17  C1z C    23.6064  -24.3644
            18  C1y C    22.5094  -22.4624
            19  C1y C    28.5430  -13.4567
            20  C1y C    22.5094  -23.7227
            21  C1a C    22.7511  -25.5744
            22  O1a O    24.4965  -25.7321
            23  C1a C    21.4226  -21.8318
            24  C1y C    28.5374  -12.1563
            25  C1y C    27.4228  -14.1154
            26  O7a O    21.4226  -24.3644
            27  C1x C    27.4059  -11.5201
            28  C1b C    29.6231  -11.5144
            29  C1y C    27.4283  -15.4157
            30  O2a O    26.4591  -13.4903
            31  C1y C    27.4059  -10.2432
            32  C4a C    30.7268  -12.1396
            33  C1x C    26.2968  -16.0688
            34  O7a O    28.5319  -16.0453
            35  C1y C    26.2911   -9.6125
            36  C1a C    28.4973   -9.6070
            37  O4a O    31.8181  -11.4977
            38  C7x C    25.1482  -15.4326
            39  C2x C    25.1998  -10.2432
            40  O1a O    26.2911   -8.3531
            41  O7x O    24.0011  -16.0632
            42  O7x O    25.1482  -14.1657
            43  C2x C    25.1998  -11.5201
            44  C1y C    22.8696  -15.3755
            45  C2x C    24.0794  -12.1563
            46  C1x C    22.9229  -14.0359
            47  C1a C    21.7548  -15.9837
            48  C2x C    24.0625  -13.4399
            49  C1a C    26.4489  -12.2292
            50  C7a C    20.3298  -23.7444
            51  C1b C    19.2429  -24.3861
            52  O7a O    20.3172  -22.4894
            53  C1a C    18.1501  -23.7729
            54  C7a C    28.5895  -17.3762
            55  C1b C    27.3552  -18.0339
            56  O7a O    29.6712  -18.0556
            57  C1a C    26.2036  -17.3546
BOND        59
            1     5  11 1 #Down
            2     6  12 1
            3     6  13 1
            4     7  14 1
            5     7  15 1
            6    10  16 1 #Up
            7    14  17 1
            8    15  18 1
            9    19  16 1 #Down
            10   17  20 1
            11   17  21 1 #Down
            12   17  22 1 #Up
            13   18  23 1 #Down
            14   19  24 1
            15   19  25 1
            16   20  26 1 #Up
            17   24  27 1
            18   24  28 1 #Down
            19   25  29 1
            20   25  30 1 #Down
            21   27  31 1
            22   28  32 1
            23   29  33 1
            24   29  34 1 #Down
            25   31  35 1
            26   31  36 1 #Down
            27   32  37 2
            28   33  38 1
            29   35  39 1
            30   35  40 1 #Down
            31   38  41 1
            32   38  42 2
            33   39  43 2
            34   41  44 1
            35   43  45 1
            36   44  46 1
            37   44  47 1 #Down
            38   45  48 2
            39    8  10 1
            40   18  20 1
            41   46  48 1
            42   30  49 1
            43    1   2 1
            44   26  50 1
            45    1   3 1 #Down
            46   50  51 1
            47    1   4 1
            48   50  52 2
            49    2   5 1
            50   51  53 1
            51    2   6 1 #Up
            52    7   3 1 #Up
            53   34  54 1
            54    4   8 1
            55   54  55 1
            56    4   9 1 #Up
            57   54  56 2
            58    5  10 1
            59   55  57 1


entry: D01340
name: --- - Naloxone hydrochloride (JP15/USP) - Narcan (TN)
formula: C19H21NO4. HCl
activity: Antagonist [to narcotics]
remark: Therapeutic category: 2219
comment: Component of Talwin NX (TN)
kcf:
ATOM        25
            1   C1z C    21.5987  -17.6559
            2   C8y C    21.6629  -16.3412
            3   C1z C    22.7906  -18.3161
            4   C1y C    20.5234  -18.3044
            5   C1x C    22.6503  -16.7035
            6   C8y C    20.5176  -15.6868
            7   C8y C    22.8022  -15.6868
            8   C1y C    23.9299  -17.6617
            9   C1x C    22.8546  -19.6249
            10  O1a O    23.9240  -19.2450
            11  O2x O    19.4659  -17.0366
            12  C5x C    20.5117  -19.6074
            13  C1x C    25.1218  -16.7035
            14  C8y C    20.5176  -14.3663
            15  C1x C    23.9357  -16.3471
            16  C8x C    22.8022  -14.3663
            17  N1y N    25.1393  -18.3220
            18  C1x C    21.6453  -20.2735
            19  O5x O    19.3666  -20.2618
            20  C8x C    21.6687  -13.7119
            21  O1a O    19.3783  -13.7119
            22  C1b C    26.4599  -17.6383
            23  C2b C    27.5233  -18.2402
            24  C2a C    28.5691  -17.6149
            25  X   Cl   29.5231  -15.1306
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1 #Down
            11    4  12 1
            12    5  13 1
            13    6  14 2
            14    7  15 1
            15    7  16 1
            16    8  17 1 #Up
            17    9  18 1
            18   12  19 2
            19   14  20 1
            20   14  21 1
            21   17  22 1
            22   22  23 1
            23   23  24 2
            24    6  11 1
            25    8  15 1
            26   12  18 1
            27   13  17 1
            28   16  20 2


entry: D01341
name: --- - Tiaramide hydrochloride (JP15/USAN) - Solantal (TN)
formula: C15H18ClN3O3S. HCl
activity: Anti-asthmatic
remark: Therapeutic category: 1148
kcf:
ATOM        24
            1   N4y N    19.9972  -16.8897
            2   C8y C    18.8669  -16.0676
            3   S2x S    17.7299  -16.8897
            4   C8y C    19.5635  -18.2209
            5   C8y C    18.1634  -18.2132
            6   C8x C    17.4602  -19.4228
            7   C8x C    18.1502  -20.6402
            8   C8y C    19.5503  -20.6478
            9   C8x C    20.2605  -19.4382
            10  C1x C    23.6307  -14.7870
            11  N1y N    23.6307  -16.1874
            12  C1x C    24.8473  -16.8840
            13  C1x C    26.0566  -16.1874
            14  N1y N    26.0566  -14.7870
            15  C1x C    24.8473  -14.0833
            16  C1b C    27.2708  -14.0844
            17  C1b C    28.4838  -14.7889
            18  O1a O    29.6909  -14.0860
            19  C5a C    22.4175  -16.8845
            20  C1b C    21.2035  -16.1885
            21  O5a O    22.4182  -18.2848
            22  O5x O    18.8669  -14.6675
            23  X   Cl   20.2473  -21.8653
            24  X   Cl   29.1437  -19.2275
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   5 1
            4    10  11 1
            5    11  12 1
            6    12  13 1
            7    13  14 1
            8    14  15 1
            9    15  10 1
            10    4   5 2
            11   14  16 1
            12    5   6 1
            13   16  17 1
            14    6   7 2
            15   17  18 1
            16    7   8 1
            17   11  19 1
            18    8   9 2
            19   19  20 1
            20    9   4 1
            21   19  21 2
            22   20   1 1
            23    2  22 2
            24    8  23 1
            25    4   1 1


entry: D01342
name: --- - Indocyanine green (JAN/USP) - IC-Green (TN)
formula: C43H47N2O6S2. Na
activity: Diagnostic aid [cardiac output determination]; Diagnostic aid [hepatic function determination]
remark: Therapeutic category: 7224 7290
kcf:
ATOM        54
            1   N1y N    28.8750  -16.9810
            2   C2y C    28.8643  -15.5824
            3   C1b C    27.6666  -17.6851
            4   C1b C    20.3759  -17.6327
            5   C1b C    21.5908  -16.9395
            6   N2y N    19.1682  -16.9273 #+
            7   C2y C    19.1753  -15.5287
            8   C8x C    31.0592  -18.4628
            9   C8x C    32.4513  -18.4673
            10  C8y C    32.4591  -16.0559
            11  C8y C    33.1491  -17.2628
            12  C8x C    34.5392  -17.2687
            13  C8x C    35.2394  -16.0676
            14  C8x C    34.5494  -14.8607
            15  C8x C    33.1593  -14.8550
            16  C8y C    30.3670  -17.2550
            17  C8y C    31.0631  -16.0522
            18  C1z C    30.1342  -15.0184
            19  C8x C    15.5695  -18.4055
            20  C8x C    16.9617  -18.4100
            21  C8y C    14.8772  -17.1977
            22  C8y C    15.5753  -15.9988
            23  C8x C    14.8861  -14.7948
            24  C8x C    13.4987  -14.7897
            25  C8x C    12.8006  -15.9886
            26  C8x C    13.4899  -17.1926
            27  C8y C    16.9693  -15.9988
            28  C8y C    17.6671  -17.2056
            29  C1z C    17.9015  -14.9623
            30  C2b C    20.3859  -14.8382
            31  C2b C    21.5936  -15.5438
            32  C2b C    22.8083  -14.8506
            33  C2b C    24.0160  -15.5560
            34  C2b C    25.2307  -14.8628
            35  C2b C    26.4384  -15.5682
            36  C2b C    27.6530  -14.8750
            37  C1b C    22.7983  -17.6449
            38  C1b C    22.7878  -19.0421
            39  S4a S    21.5713  -19.7321
            40  C1b C    26.4526  -16.9905
            41  C1b C    25.2441  -17.6944
            42  C1b C    25.2317  -19.0914
            43  S4a S    26.4367  -19.8014
            44  O0  O    20.3508  -20.4195 #-
            45  O3c O    22.5547  -20.7162
            46  O3c O    20.5697  -18.7312
            47  O0  O    27.6405  -20.4972 #-
            48  O3c O    25.4366  -20.7867
            49  O3c O    27.4215  -18.8019
            50  C1a C    18.5920  -13.7444
            51  C1a C    16.9037  -13.9633
            52  C1a C    31.3418  -14.3094
            53  C1a C    29.4275  -13.8009
            54  Z   Na   33.1925  -20.6455 #+
BOND        58
            1    25  26 1
            2    26  21 2
            3    10  11 1
            4    11  12 2
            5    12  13 1
            6    27  28 2
            7     7  29 1
            8    29  27 1
            9    13  14 2
            10    7  30 1
            11   14  15 1
            12   30  31 2
            13   15  10 2
            14   31  32 1
            15    1   2 1
            16   32  33 2
            17   16   8 1
            18   33  34 1
            19    8   9 2
            20   34  35 2
            21   16  17 2
            22   35  36 1
            23   36   2 2
            24   28   6 1
            25    1  16 1
            26   17  18 1
            27    5  37 1
            28   18   2 1
            29   37  38 1
            30    9  11 1
            31   38  39 1
            32   10  17 1
            33    3  40 1
            34   21  19 1
            35   40  41 1
            36   19  20 2
            37   41  42 1
            38   20  28 1
            39   42  43 1
            40   27  22 1
            41   39  44 1
            42    4   5 1
            43   39  45 2
            44   39  46 2
            45    4   6 1
            46   43  47 1
            47    1   3 1
            48   43  48 2
            49    6   7 2
            50   43  49 2
            51   29  50 1
            52   21  22 1
            53   29  51 1
            54   22  23 2
            55   18  52 1
            56   23  24 1
            57   18  53 1
            58   24  25 2


entry: D01343
name: --- - Dimetindene maleate (JAN) - Dimethindene maleate (USAN) - Forhistal maleate (TN)
formula: C20H24N2. C4H4O4
activity: Antihistaminic
remark: Therapeutic category: 4419
kcf:
ATOM        30
            1   C8x C    20.8688  -16.1854
            2   C8x C    20.8688  -17.5844
            3   C8x C    22.0834  -18.2840
            4   C8x C    22.0834  -15.4859
            5   C8y C    23.2908  -16.1854
            6   C8y C    23.2848  -17.5878
            7   C1x C    24.6169  -18.0269
            8   C2y C    25.4458  -16.8956
            9   C2y C    24.6264  -15.7575
            10  C1b C    26.8449  -16.9014
            11  C1b C    27.5393  -18.1159
            12  N1c N    28.9383  -18.1217
            13  C1a C    29.6330  -19.3362
            14  C1a C    29.6430  -16.9131
            15  C1c C    24.6137  -14.3553
            16  C8y C    25.8191  -13.6449
            17  C1a C    23.3959  -13.6668
            18  C8x C    27.0316  -14.3356
            19  C8x C    28.2368  -13.6252
            20  C8x C    28.2242  -12.2262
            21  C8x C    27.0063  -11.5377
            22  N5x N    25.8011  -12.2481
            23  C6a C    38.0303  -15.9960
            24  C2b C    37.3506  -14.8187
            25  O6a O    37.3564  -17.1788
            26  O6a O    39.3971  -16.0600
            27  C2b C    35.7114  -14.8245
            28  C6a C    35.0375  -16.0075
            29  O6a O    33.6707  -16.0075
            30  O6a O    35.7231  -17.1846
BOND        31
            1    12  14 1
            2     2   3 1
            3     9  15 1
            4     3   6 2
            5    15  16 1
            6     5   6 1
            7    15  17 1
            8     6   7 1
            9     7   8 1
            10    8   9 2
            11    9   5 1
            12    5   4 2
            13   16  18 2
            14   18  19 1
            15   19  20 2
            16   20  21 1
            17   21  22 2
            18   22  16 1
            19    8  10 1
            20    4   1 1
            21   10  11 1
            22   11  12 1
            23   12  13 1
            24    1   2 2
            25   23  24 1
            26   23  25 1
            27   23  26 2
            28   24  27 2
            29   27  28 1
            30   28  29 1
            31   28  30 2


entry: D01344
name: --- - Fenbufen (JP15/USAN)
formula: C16H14O3
activity: Anti-inflammatory
remark: Therapeutic category: 1147
kcf:
ATOM        19
            1   C8x C    25.2762  -16.6847
            2   C8x C    25.2762  -18.0849
            3   C8x C    26.4918  -18.7850
            4   C8x C    27.7003  -18.0849
            5   C8y C    27.7003  -16.6847
            6   C8x C    26.4918  -15.9845
            7   C8y C    28.9135  -15.9856
            8   C8x C    30.1234  -16.6882
            9   C8x C    31.3366  -15.9889
            10  C8y C    31.3377  -14.5887
            11  C8x C    30.1255  -13.8877
            12  C8x C    28.9124  -14.5868
            13  C5a C    32.5508  -13.8894
            14  C1b C    33.7628  -14.5906
            15  O5a O    32.5518  -12.4892
            16  C1b C    34.9760  -13.8913
            17  C6a C    36.1881  -14.5923
            18  O6a O    37.4014  -13.8932
            19  O6a O    36.1871  -15.9925
BOND        20
            1     5   6 2
            2     7   8 2
            3     8   9 1
            4     9  10 2
            5    10  11 1
            6    11  12 2
            7    12   7 1
            8     6   1 1
            9    10  13 1
            10   13  14 1
            11    5   7 1
            12   13  15 2
            13    1   2 2
            14   14  16 1
            15    2   3 1
            16   16  17 1
            17    3   4 2
            18   17  18 1
            19    4   5 1
            20   17  19 2


entry: D01345
name: --- - Chlorhexidine hydrochloride (JP15/USAN) - Dantroche hibitane (TN)
formula: C22H30Cl2N10. 2HCl
activity: Anti-infective, topical
remark: Therapeutic category: 2399
comment: Component of Despa (TN)
kcf:
ATOM        36
            1   C8y C    14.4119  -15.6024
            2   N1b N    15.6268  -16.2923
            3   C8x C    13.2047  -16.3000
            4   C8x C    14.4119  -14.1995
            5   C2c C    16.8338  -15.5947
            6   C8x C    11.9897  -15.6024
            7   C8x C    13.2047  -13.4939
            8   N1b N    18.0488  -16.2923
            9   N2a N    16.8338  -14.1995
            10  C8y C    11.9897  -14.1995
            11  C2c C    19.2635  -15.5947
            12  X   Cl   10.7768  -13.4939
            13  N1b N    20.4784  -16.2923
            14  N2a N    19.2635  -14.1915
            15  C1b C    21.6934  -15.5947
            16  C1b C    22.9083  -16.2923
            17  C1b C    24.1233  -15.5947
            18  C1b C    25.3381  -16.2923
            19  C1b C    26.5451  -15.5947
            20  C1b C    27.7600  -16.2843
            21  N1b N    28.9750  -15.5867
            22  C2c C    30.1899  -16.2843
            23  N1b N    31.4047  -15.5867
            24  N2a N    30.1899  -17.6875
            25  C2c C    32.6196  -16.2843
            26  N1b N    33.8345  -15.5867
            27  N2a N    32.6196  -17.6875
            28  C8y C    35.0415  -16.2843
            29  C8x C    35.1038  -17.6795
            30  C8x C    36.2488  -15.5790
            31  C8x C    36.2488  -18.3771
            32  C8x C    37.4637  -16.2766
            33  C8y C    37.4637  -17.6718
            34  X   Cl   38.6784  -18.3771
            35  X   Cl   37.5900  -14.4200
            36  X   Cl   37.5900  -14.4200
BOND        35
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 1
            8     5   9 2
            9     6  10 2
            10    8  11 1
            11   10  12 1
            12   11  13 1
            13   11  14 2
            14   13  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   22  24 2
            24   23  25 1
            25   25  26 1
            26   25  27 2
            27   26  28 1
            28   28  29 2
            29   28  30 1
            30   29  31 1
            31   30  32 2
            32   31  33 2
            33   33  34 1
            34    7  10 1
            35   32  33 1


entry: D01346
name: --- - Bentiromide (JAN/USAN) - PFD (TN)
formula: C23H20N2O5
activity: Diagnostic aid [pancreas function determination]
remark: Therapeutic category: 7229
kcf:
ATOM        30
            1   C8y C    15.1304  -16.9897
            2   C8x C    15.1304  -18.3902
            3   C8x C    16.3461  -19.0904
            4   C8y C    17.5547  -18.3902
            5   C8x C    17.5547  -16.9897
            6   C8x C    16.3461  -16.2895
            7   O1a O    13.9180  -16.2889
            8   C1b C    18.7680  -19.0895
            9   C1c C    19.9804  -18.3883
            10  C5a C    21.1937  -19.0876
            11  N1b N    22.4059  -18.3866
            12  O5a O    21.1947  -20.4881
            13  C8y C    23.6192  -19.0858
            14  C8x C    23.6187  -20.4835
            15  C8x C    24.8319  -21.1828
            16  C8y C    26.0442  -20.4816
            17  C8x C    26.0432  -19.0812
            18  C8x C    24.8299  -18.3820
            19  C6a C    27.2576  -21.1810
            20  O6a O    27.2586  -22.5814
            21  O6a O    28.4697  -20.4799
            22  N1b N    19.9793  -16.9879
            23  C5a C    21.1915  -16.2868
            24  C8y C    21.1905  -14.8864
            25  O5a O    22.4048  -16.9862
            26  C8x C    22.4018  -14.1932
            27  C8x C    22.4008  -12.7928
            28  C8x C    21.1874  -12.0936
            29  C8x C    19.9753  -12.7946
            30  C8x C    19.9763  -14.1950
BOND        32
            1     4   8 1
            2     2   3 1
            3    13  14 2
            4    14  15 1
            5    15  16 2
            6    16  17 1
            7    17  18 2
            8    18  13 1
            9     8   9 1
            10   16  19 1
            11    3   4 2
            12   19  20 2
            13    9  10 1
            14   19  21 1
            15    4   5 1
            16    9  22 1
            17   10  11 1
            18   22  23 1
            19    5   6 2
            20   23  24 1
            21   10  12 2
            22   23  25 2
            23    6   1 1
            24   11  13 1
            25    1   7 1
            26    1   2 2
            27   24  26 2
            28   26  27 1
            29   27  28 2
            30   28  29 1
            31   29  30 2
            32   30  24 1


entry: D01347
name: --- - Tramazoline hydrochloride (JAN/USAN) - Towk (TN)
formula: C13H17N3. HCl
activity: Adrenergic
remark: Therapeutic category: 1324
kcf:
ATOM        17
            1   C8x C    22.2840  -15.4841
            2   C8y C    22.2840  -16.8854
            3   C8x C    24.7100  -15.4841
            4   C8x C    23.5006  -14.7834
            5   C8y C    24.7100  -16.8854
            6   C8y C    23.4972  -17.5801
            7   C1x C    23.4924  -18.9777
            8   C1x C    24.7004  -19.6808
            9   C1x C    25.9132  -18.9861
            10  C1x C    25.9180  -17.5883
            11  N1b N    21.0718  -17.5881
            12  C2y C    21.0741  -18.9895
            13  N1x N    19.9410  -19.8172
            14  C1x C    20.3764  -21.1494
            15  C1x C    21.7777  -21.1466
            16  N2x N    22.2085  -19.8133
            17  X   Cl   29.8639  -18.4566
BOND        18
            1     5   6 2
            2     6   7 1
            3     7   8 1
            4     8   9 1
            5     9  10 1
            6    10   5 1
            7     4   1 1
            8     2  11 1
            9    11  12 1
            10    1   2 2
            11    2   6 1
            12    5   3 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  12 2
            18    3   4 2


entry: D01348
name: --- - Terguride (JAN) - Teluron (TN)
formula: C20H28N4O
remark: Therapeutic category: 1190
kcf:
ATOM        25
            1   C8x C    21.4545  -21.8126
            2   C8x C    22.5843  -19.7253
            3   C8x C    21.4181  -20.4396
            4   C8y C    23.7901  -20.3779
            5   C1x C    26.1908  -21.6881
            6   C1y C    24.9576  -19.6660
            7   C1y C    26.1496  -20.3233
            8   N1y N    27.3149  -19.6195
            9   C1x C    27.2881  -18.2586
            10  C1y C    26.0959  -17.6012
            11  C1x C    25.0006  -18.3049
            12  C1a C    28.5156  -20.2816
            13  N1b N    26.0690  -16.2305
            14  C5a C    27.2426  -15.5217
            15  N1c N    27.2155  -14.1510
            16  O5a O    28.4431  -16.1836
            17  C1b C    28.3891  -13.4422
            18  C1b C    26.0150  -13.4889
            19  C1a C    26.0579  -12.1182
            20  C1a C    28.4322  -12.0713
            21  C8y C    23.8207  -21.7430
            22  C8y C    22.6625  -22.4578
            23  C8y C    25.0189  -22.3886
            24  N4x N    22.6554  -23.8240
            25  C8x C    25.0097  -23.8248
BOND        28
            1     8  12 1
            2     5   7 1
            3    10  13 1 #Down
            4     6   4 1
            5    13  14 1
            6     4   2 1
            7    14  15 1
            8     2   3 2
            9    14  16 2
            10    3   1 1
            11   15  17 1
            12   15  18 1
            13    1  22 2
            14   18  19 1
            15    4  21 2
            16   17  20 1
            17    6   7 1
            18    7   8 1
            19    8   9 1
            20    9  10 1
            21   10  11 1
            22   21  22 1
            23   23  21 1
            24   11   6 1
            25   22  24 1
            26   23   5 1
            27   23  25 2
            28   24  25 1


entry: D01349
name: --- - Pirbuterol hydrochloride (JAN/USAN)
formula: C12H20N2O3. 2HCl
activity: Bronchodilator
remark: Therapeutic category: 2259
kcf:
ATOM        19
            1   C8y C    16.0621   -9.8753
            2   N5x N    17.2730   -9.1767
            3   C1c C    14.8569   -9.1710
            4   C8x C    16.0621  -11.2784
            5   C8y C    18.4839   -9.8753
            6   C1b C    13.6403   -9.8753
            7   O1a O    14.8569   -7.7737
            8   C8x C    17.2730  -11.9770
            9   C8y C    18.4839  -11.2784
            10  C1b C    19.7006   -9.1767
            11  N1b N    12.4294   -9.1710
            12  O1a O    19.7006  -11.9770
            13  O1a O    20.9114   -9.8753
            14  C1d C    11.2126   -9.8753
            15  C1a C     9.9970  -10.5745
            16  C1a C    10.5186   -8.6725
            17  C1a C    11.9132  -11.0888
            18  X   Cl   25.3400  -10.3600
            19  X   Cl   25.3400  -10.3600
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14    8   9 2
            15   14  15 1
            16   14  16 1
            17   14  17 1


entry: D01350
name: --- - Streptomycin sulfate (JP15/USP) - Streptomycin sulfate (TN)
formula: (C21H39N7O12)2. 3H2SO4
activity: Antibacterial [tuberculostatic]
remark: Therapeutic category: 6161
kcf:
ATOM        95
            1   O1d O    16.9199  -15.1376
            2   S4a S    18.3197  -15.1376
            3   O3c O    18.3126  -16.5374
            4   O1d O    19.7196  -15.1376
            5   O3c O    18.3126  -13.7377
            6   C1y C     7.9748  -17.3139
            7   C1y C     8.3840  -16.0619
            8   C1z C     6.6623  -17.3139
            9   O2a O     9.6542  -18.4157
            10  O2a O     9.9192  -14.7014
            11  O2x O     7.3126  -15.2974
            12  C1y C     6.2652  -16.0619
            13  C4a C     5.3562  -18.0424
            14  O1a O     6.6684  -18.5720
            15  C1y C     8.5706  -20.4924
            16  C1y C     9.8890  -13.0759
            17  C1a C     5.0190  -15.6525
            18  O4a O     4.2303  -17.3741
            19  C1y C     8.5706  -21.8167
            20  O2x O     7.4208  -19.8364
            21  C1y C     8.7572  -12.4078
            22  C1y C    11.0388  -12.4078
            23  C1y C     7.4208  -22.4850
            24  C1y C     6.2891  -20.4924
            25  C1y C     8.7572  -11.0835
            26  N1b N     6.9273  -13.2264
            27  C1y C    11.0388  -11.0835
            28  O1a O    12.1705  -13.0580
            29  C1y C     6.2891  -21.8167
            30  O1a O     7.4208  -23.7973
            31  C1b C     5.1575  -19.8364
            32  C1y C     9.8890  -10.4272
            33  O1a O     7.8409  -10.3508
            34  C2c C     5.7955  -12.5703
            35  O1a O    12.1705  -10.4213
            36  O1a O     5.1513  -22.4670
            37  O1a O     4.0196  -20.4924
            38  N1b N     9.8830   -9.1149
            39  N1a N     4.6578  -13.2204
            40  N2a N     5.8015  -11.2581
            41  C2c C     8.7513   -8.4648
            42  N2a N     8.7452   -7.1585
            43  N1a N     7.6195   -9.1209
            44  N1b N     9.7777  -22.5113
            45  C1a C    10.9870  -21.8106
            46  O1d O    16.9199  -15.1376
            47  S4a S    18.3197  -15.1376
            48  O3c O    18.3126  -16.5374
            49  O1d O    19.7196  -15.1376
            50  O3c O    18.3126  -13.7377
            51  O1d O    16.9199  -15.1376
            52  S4a S    18.3197  -15.1376
            53  O3c O    18.3126  -16.5374
            54  O1d O    19.7196  -15.1376
            55  O3c O    18.3126  -13.7377
            56  C1y C     7.9748  -17.3139
            57  C1y C     8.3840  -16.0619
            58  O2a O     9.9192  -14.7014
            59  C1y C     9.8890  -13.0759
            60  C1y C     8.7572  -12.4078
            61  C1y C     8.7572  -11.0835
            62  C1y C     9.8890  -10.4272
            63  N1b N     9.8830   -9.1149
            64  C2c C     8.7513   -8.4648
            65  N2a N     8.7452   -7.1585
            66  N1a N     7.6195   -9.1209
            67  C1y C    11.0388  -11.0835
            68  C1y C    11.0388  -12.4078
            69  O1a O    12.1705  -13.0580
            70  O1a O    12.1705  -10.4213
            71  O1a O     7.8409  -10.3508
            72  N1b N     6.9273  -13.2264
            73  C2c C     5.7955  -12.5703
            74  N1a N     4.6578  -13.2204
            75  N2a N     5.8015  -11.2581
            76  O2x O     7.3126  -15.2974
            77  C1y C     6.2652  -16.0619
            78  C1z C     6.6623  -17.3139
            79  C4a C     5.3562  -18.0424
            80  O4a O     4.2303  -17.3741
            81  O1a O     6.6684  -18.5720
            82  C1a C     5.0190  -15.6525
            83  O2a O     9.6542  -18.4157
            84  C1y C     8.5706  -20.4924
            85  C1y C     8.5706  -21.8167
            86  C1y C     7.4208  -22.4850
            87  C1y C     6.2891  -21.8167
            88  O1a O     5.1513  -22.4670
            89  C1y C     6.2891  -20.4924
            90  O2x O     7.4208  -19.8364
            91  C1b C     5.1575  -19.8364
            92  O1a O     4.0196  -20.4924
            93  O1a O     7.4208  -23.7973
            94  N1b N     9.7777  -22.5113
            95  C1a C    10.9870  -21.8106
BOND        96
            1     1   2 1
            2     2   3 2
            3     2   4 1
            4     2   5 2
            5    46  47 1
            6    47  48 2
            7    47  49 1
            8    47  50 2
            9    51  52 1
            10   52  53 2
            11   52  54 1
            12   52  55 2
            13    6   7 1
            14    6   8 1
            15    6   9 1 #Down
            16    7  10 1 #Up
            17    7  11 1
            18    8  12 1
            19    8  13 1 #Up
            20    8  14 1
            21   15   9 1 #Up
            22   16  10 1 #Down
            23   12  17 1 #Down
            24   13  18 2
            25   15  19 1
            26   15  20 1
            27   16  21 1
            28   16  22 1
            29   19  23 1
            30   20  24 1
            31   21  25 1
            32   21  26 1 #Up
            33   22  27 1
            34   22  28 1 #Up
            35   23  29 1
            36   23  30 1 #Down
            37   24  31 1 #Down
            38   25  32 1
            39   25  33 1 #Down
            40   26  34 1
            41   27  35 1 #Down
            42   29  36 1 #Up
            43   31  37 1
            44   32  38 1 #Up
            45   34  39 1
            46   34  40 2
            47   38  41 1
            48   41  42 2
            49   41  43 1
            50   11  12 1
            51   24  29 1
            52   27  32 1
            53   19  44 1 #Up
            54   44  45 1
            55   56  57 1
            56   56  78 1
            57   56  83 1 #Down
            58   57  58 1 #Up
            59   57  76 1
            60   78  77 1
            61   78  79 1 #Up
            62   78  81 1
            63   84  83 1 #Up
            64   59  58 1 #Down
            65   77  82 1 #Down
            66   79  80 2
            67   84  85 1
            68   84  90 1
            69   59  60 1
            70   59  68 1
            71   85  86 1
            72   90  89 1
            73   60  61 1
            74   60  72 1 #Up
            75   68  67 1
            76   68  69 1 #Up
            77   86  87 1
            78   86  93 1 #Down
            79   89  91 1 #Down
            80   61  62 1
            81   61  71 1 #Down
            82   72  73 1
            83   67  70 1 #Down
            84   87  88 1 #Up
            85   91  92 1
            86   62  63 1 #Up
            87   73  74 1
            88   73  75 2
            89   63  64 1
            90   64  65 2
            91   64  66 1
            92   76  77 1
            93   89  87 1
            94   67  62 1
            95   85  94 1 #Up
            96   94  95 1


entry: D01351
name: --- - Glafenine (JAN)
formula: C19H17ClN2O4
kcf:
ATOM        26
            1   C8y C     4.7600  -20.9300
            2   N5x N     4.7600  -22.3300
            3   C8x C     5.9500  -23.0300
            4   C8x C     7.2100  -22.3300
            5   C8y C     7.2100  -20.9300
            6   C8y C     5.9500  -20.2300
            7   C8x C     9.5900  -22.3300
            8   C8y C     9.5900  -20.9300
            9   N1b N     8.4000  -20.2300
            10  C8x C    10.8500  -23.0300
            11  C8x C    12.0400  -22.3300
            12  C8x C    12.0400  -20.9300
            13  C8y C    10.8500  -20.2300
            14  C8x C     5.9386  -18.8300
            15  C8x C     4.7205  -18.1399
            16  C8y C     3.5305  -18.8399
            17  C8x C     3.4719  -20.2399
            18  X   Cl    2.3034  -18.1033
            19  C7a C    10.8672  -18.8301
            20  O7a O    12.0751  -18.1524
            21  O7a O     9.6508  -18.1076
            22  C1b C    13.2942  -18.8768
            23  C1c C    14.5098  -18.1954
            24  C1b C    15.7005  -18.9033
            25  O1a O    16.9075  -18.2267
            26  O1a O    14.4574  -16.8005
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    6  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19    1  17 1
            20   16  18 1
            21   13  19 1
            22   19  20 1
            23   19  21 2
            24   20  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   23  26 1


entry: D01352
name: --- - Dinoprost tromethamine (JAN/USP) - Prostin F2 alpha (TN)
formula: C20H34O5. C4H11NO3
activity: Oxytocic; Prostaglandin
remark: Therapeutic category: 2499
kcf:
ATOM        33
            1   C1y C    22.1239  -14.5461
            2   C1y C    22.1180  -15.9342
            3   C1y C    20.8058  -14.1261
            4   C1b C    23.5295  -13.3037
            5   C1y C    20.8232  -16.3600
            6   C2b C    23.3137  -16.6166
            7   C1x C    20.0008  -15.2518
            8   O1a O    20.3567  -12.7789
            9   C2b C    24.7195  -14.0037
            10  O1a O    20.3858  -17.7191
            11  C2b C    24.5036  -15.9342
            12  C2b C    26.0842  -14.0037
            13  C1c C    25.6934  -16.6166
            14  C1b C    27.2683  -13.3037
            15  C1b C    26.8834  -15.9342
            16  O1a O    25.6934  -17.9931
            17  C1b C    28.4464  -13.9862
            18  C1b C    28.0731  -16.6166
            19  C1b C    29.6364  -13.2980
            20  C1b C    29.2805  -15.9342
            21  C6a C    30.8204  -13.9746
            22  C1b C    30.4528  -16.6166
            23  O6a O    32.0335  -13.2571
            24  O6a O    30.8320  -15.3743
            25  C1a C    31.6602  -15.9342
            26  C1d C    37.9613  -15.2949
            27  C1b C    36.8182  -14.6358
            28  C1b C    37.9613  -16.6422
            29  C1b C    39.1045  -14.6532
            30  N1a N    37.9322  -13.4692
            31  O1a O    35.6750  -15.2949
            32  O1a O    39.1045  -17.3013
            33  O1a O    40.2652  -15.3123
BOND        32
            1    12  14 1
            2    13  15 1
            3    13  16 1 #Down
            4    14  17 1
            5    15  18 1
            6    17  19 1
            7    18  20 1
            8    19  21 1
            9    20  22 1
            10   21  23 1
            11   21  24 2
            12   22  25 1
            13    5   7 1
            14    1   2 1
            15    1   3 1
            16    1   4 1 #Down
            17    2   5 1
            18    2   6 1 #Up
            19    3   7 1
            20    3   8 1 #Down
            21    4   9 1
            22    5  10 1 #Down
            23    6  11 2
            24    9  12 2
            25   11  13 1
            26   26  27 1
            27   26  28 1
            28   26  29 1
            29   26  30 1
            30   27  31 1
            31   28  32 1
            32   29  33 1


entry: D01353
name: --- - Emorfazone (JAN) - Pentoil (TN)
formula: C11H17N3O3
remark: Therapeutic category: 1148
kcf:
ATOM        17
            1   C8x C    21.7945  -18.7921
            2   C8y C    21.7945  -17.3906
            3   N4y N    24.2207  -18.7921
            4   N5x N    23.0112  -19.4929
            5   N1y N    20.5811  -16.6892
            6   C1x C    19.3699  -17.3928
            7   C1x C    18.1566  -16.6914
            8   O2x O    18.1573  -15.2899
            9   C1x C    19.3714  -14.5898
            10  C1x C    20.5847  -15.2913
            11  C8y C    24.2207  -17.3906
            12  C8y C    23.0078  -16.6958
            13  O2a O    23.0031  -15.2979
            14  C1b C    24.2112  -14.5948
            15  C1a C    25.4242  -15.2896
            16  O5x O    25.4289  -16.6875
            17  C1a C    25.4350  -19.4918
BOND        18
            1     5   6 1
            2     6   7 1
            3     7   8 1
            4     8   9 1
            5     9  10 1
            6    10   5 1
            7     2   5 1
            8     1   2 1
            9     2  12 2
            10   11   3 1
            11    3   4 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   16  11 2
            17    4   1 2
            18    3  17 1


entry: D01354
name: --- - Fludiazepam (JP15) - Erispan (TN)
formula: C16H12ClFN2O
remark: Therapeutic category: 1124
kcf:
ATOM        21
            1   C2y C    13.7834  -11.9094
            2   C8y C    12.9413  -10.7998
            3   C8y C    13.2765   -9.4430
            4   N1y N    14.5375   -8.8649
            5   N2x N    15.1892  -11.9346
            6   C5x C    15.7911   -9.4872
            7   C1x C    16.0776  -10.8559
            8   C8x C    12.2694   -8.4746
            9   C8x C    10.9274   -8.8627
            10  C8y C    10.5922  -10.2195
            11  C8x C    11.5993  -11.1876
            12  O5x O    16.8352   -8.5528
            13  X   Cl    9.2274  -10.6139
            14  C8y C    13.1489  -13.1591
            15  C8x C    11.7473  -13.1591
            16  C8x C    11.0473  -14.3716
            17  C8x C    11.7473  -15.5840
            18  C8x C    13.1489  -15.5840
            19  C8y C    13.8489  -14.3716
            20  X   F    15.2598  -14.3717
            21  C1a C    14.5592   -7.4900
BOND        23
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    6  12 2
            14   10  13 1
            15    1  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   14  19 2
            22   19  20 1
            23    4  21 1


entry: D01355
name: --- - Tramadol hydrochloride (JAN/USAN) - Ultram (TN)
formula: C16H25NO2. HCl
activity: Analgesic
remark: Therapeutic category: 1149
kcf:
ATOM        20
            1   C1z C    21.0055  -18.6181
            2   C8y C    22.2165  -19.3259
            3   C1y C    21.0114  -17.2258
            4   C1x C    19.7888  -19.3201
            5   O1a O    21.0114  -20.0162
            6   C8x C    23.4274  -18.6298
            7   C8x C    22.2107  -20.7299
            8   C1x C    19.7945  -16.5238
            9   C1b C    22.2222  -16.5238
            10  C1x C    18.5836  -18.6239
            11  C8y C    24.6325  -19.3318
            12  C8x C    23.4215  -21.4319
            13  C1x C    18.5778  -17.2258
            14  N1c N    22.2222  -15.1257
            15  C8x C    24.6384  -20.7359
            16  O2a O    25.8494  -18.6298
            17  C1a C    23.4332  -14.4236
            18  C1a C    21.0114  -14.4236
            19  C1a C    27.0603  -19.3318
            20  X   Cl   31.3776  -18.7645
BOND        20
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Down
            9     4  10 1
            10    6  11 1
            11    7  12 2
            12    8  13 1
            13    9  14 1
            14   11  15 2
            15   11  16 1
            16   14  17 1
            17   14  18 1
            18   16  19 1
            19   10  13 1
            20   12  15 1


entry: D01356
name: --- - Glymidine sodium (JAN/USAN)
formula: C13H14N3O4S. Na
activity: Antidiabetic
kcf:
ATOM        22
            1   C8x C    14.6534  -17.5221
            2   C8x C    14.6534  -18.9216
            3   C8x C    15.8684  -19.6214
            4   C8x C    17.0762  -18.9216
            5   C8y C    17.0762  -17.5221
            6   C8x C    15.8684  -16.8224
            7   S4a S    18.2887  -16.8234
            8   N0  N    19.5003  -17.5240 #-
            9   O3c O    19.2760  -15.8257
            10  O3c O    17.2899  -15.8257
            11  C8y C    20.7129  -16.8251
            12  N5x N    21.9207  -17.5260
            13  C8x C    23.1332  -16.8273
            14  C8y C    23.1343  -15.4278
            15  C8x C    21.9227  -14.7270
            16  N5x N    20.7103  -15.4259
            17  O2a O    24.3468  -14.7289
            18  C1b C    25.5582  -15.4295
            19  C1b C    26.7708  -14.7307
            20  O2a O    27.9823  -15.4313
            21  C1a C    29.1949  -14.7324
            22  Z   Na   24.9448  -19.0984 #+
BOND        22
            1     3   4 2
            2     8  11 1
            3     4   5 1
            4     5   6 2
            5     6   1 1
            6     5   7 1
            7    11  12 2
            8    12  13 1
            9    13  14 2
            10   14  15 1
            11   15  16 2
            12   16  11 1
            13   14  17 1
            14    7   8 1
            15   17  18 1
            16    1   2 2
            17   18  19 1
            18    7   9 2
            19   19  20 1
            20    2   3 1
            21   20  21 1
            22    7  10 2


entry: D01357
name: --- - Betamethasone valerate (JP15/USP) - Beta-Val (TN) - Rinderon-V (TN)
formula: C27H37FO6
activity: Glucocorticoid
remark: Therapeutic category: 2646
comment: Component of Betnevate N (TN), Rinderon-VG (TN)
kcf:
ATOM        34
            1   C2x C     5.4764  -10.5555
            2   C5x C     5.4764  -11.9007
            3   C2x C     6.6413  -12.5733
            4   C2y C     7.8063  -11.9007
            5   C1z C     7.8063  -10.5555
            6   C2x C     6.6413   -9.8830
            7   C1x C     8.9713  -12.5733
            8   C1x C    10.1362  -11.9007
            9   C1y C    10.1362  -10.5555
            10  C1z C     8.9713   -9.8830
            11  C1y C    11.3011   -9.8830
            12  C1z C    11.3011   -8.5378
            13  C1x C    10.1362   -7.8652
            14  C1y C     8.9713   -8.5378
            15  C1x C    13.6310   -9.8830
            16  C1y C    13.6310   -8.5378
            17  C1z C    12.4661   -7.8652
            18  C1a C     7.8063   -9.2103
            19  O1a O     7.8083   -7.8664
            20  C1a C    11.3011   -7.1927
            21  C1a C    14.7836   -7.8722
            22  C5a C    12.4661   -6.1138
            23  X   F     8.9713  -11.2281
            24  O7a O    14.2538   -6.7775
            25  O5x O     4.3116  -12.5733
            26  O5a O    13.6350   -5.4390
            27  C1b C    11.3050   -5.4434
            28  C7a C    15.6379   -6.7775
            29  O7a O    16.3156   -7.9508
            30  C1b C    16.3407   -5.5606
            31  C1b C    17.7063   -5.5610
            32  O1a O    10.0592   -6.1628
            33  C1b C    18.4212   -4.3241
            34  C1a C    19.8099   -4.3249
BOND        37
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    5  18 1 #Up
            22   14  19 1 #Up
            23   12  20 1 #Up
            24   16  21 1 #Up
            25   17  22 1 #Up
            26   10  23 1 #Down
            27   17  24 1 #Down
            28    2  25 2
            29   22  26 2
            30   22  27 1
            31   24  28 1
            32   28  29 2
            33   28  30 1
            34   30  31 1
            35   27  32 1
            36   31  33 1
            37   33  34 1


entry: D01358
name: --- - Mianserin hydrochloride (JAN/USAN) - Tetramide (TN)
formula: C18H20N2. HCl
activity: Serotonin inhibitor; Antihistaminic
remark: Therapeutic category: 1179
kcf:
ATOM        21
            1   X   Cl   29.6213  -17.9459
            2   N1y N    25.1450  -16.7258
            3   C1y C    23.6801  -16.7609
            4   C8y C    25.8276  -15.7922
            5   C1x C    25.8744  -18.0389
            6   C8y C    22.9624  -15.8096
            7   C1x C    22.9450  -18.0272
            8   C8y C    25.8334  -14.4791
            9   C8x C    26.9715  -16.4574
            10  C1x C    25.1333  -19.2993
            11  C8y C    22.9565  -14.4500
            12  C8x C    21.7137  -16.4631
            13  N1y N    23.6685  -19.2933
            14  C1x C    24.3630  -13.5163
            15  C8x C    26.9832  -13.8256
            16  C8x C    28.1211  -15.8038
            17  C8x C    21.7953  -13.7264
            18  C8x C    20.5932  -15.7454
            19  C1a C    22.9333  -20.5539
            20  C8x C    28.1268  -14.4791
            21  C8x C    20.5873  -14.3799
BOND        23
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     3   6 1
            5     3   7 1
            6     4   8 2
            7     4   9 1
            8     5  10 1
            9     6  11 1
            10    6  12 2
            11    7  13 1
            12    8  14 1
            13    8  15 1
            14    9  16 2
            15   11  17 2
            16   12  18 1
            17   13  19 1
            18   15  20 2
            19   17  21 1
            20   10  13 1
            21   11  14 1
            22   16  20 1
            23   18  21 2


entry: D01359
name: --- - Etomidoline (JAN) - Smedolin (TN)
formula: C23H29N3O2
remark: Therapeutic category: 1249
kcf:
ATOM        28
            1   C8x C    30.2592  -14.9592
            2   C8x C    31.6577  -14.9592
            3   C8y C    32.3569  -13.7481
            4   C8x C    31.6577  -12.5372
            5   C8x C    30.2592  -12.5372
            6   C8y C    29.5600  -13.7481
            7   O2a O    33.7553  -13.7481
            8   C1b C    34.4545  -14.9592
            9   C1b C    35.8529  -14.9592
            10  N1y N    36.5521  -16.1703
            11  C1x C    35.8480  -17.3742
            12  C1x C    36.5472  -18.5852
            13  C1x C    37.9456  -18.5852
            14  C1x C    38.6448  -17.3742
            15  C1x C    37.9456  -16.1631
            16  C8x C    23.9568  -15.4811
            17  C8x C    25.1783  -14.7937
            18  C8x C    25.1474  -17.5968
            19  C8x C    23.9412  -16.8825
            20  C8y C    26.3688  -16.9093
            21  C8y C    26.3794  -15.5000
            22  C1y C    27.7231  -15.0749
            23  N1y N    28.5425  -16.2213
            24  C5x C    27.7056  -17.3549
            25  C1b C    29.9409  -16.2321
            26  C1a C    30.6308  -17.4485
            27  O5x O    28.1277  -18.6882
            28  N1b N    28.1655  -13.7485
BOND        31
            1    12  13 1
            2    13  14 1
            3    14  15 1
            4    15  10 1
            5     1   2 2
            6     7   8 1
            7     2   3 1
            8     8   9 1
            9     3   4 2
            10    9  10 1
            11    4   5 1
            12    5   6 2
            13    6   1 1
            14   20  21 2
            15   21  22 1
            16   22  23 1
            17   23  24 1
            18   24  20 1
            19   16  17 2
            20   17  21 1
            21   20  18 1
            22   18  19 2
            23   19  16 1
            24   23  25 1
            25    3   7 1
            26   25  26 1
            27   10  11 1
            28   24  27 2
            29   11  12 1
            30   22  28 1
            31   28   6 1


entry: D01360
name: --- - Clenbuterol hydrochloride (JAN) - Spiropent (TN)
formula: C12H18Cl2N2O. HCl
remark: Therapeutic category: 2259 2590
kcf:
ATOM        18
            1   X   Cl   29.9109  -18.3736
            2   C1d C    28.0218  -15.1576
            3   N1b N    26.7642  -15.8563
            4   C1a C    29.2794  -14.3891
            5   C1b C    25.5765  -15.1576
            6   C1c C    24.3888  -15.8563
            7   C8y C    23.2011  -15.1576
            8   O1a O    24.3888  -17.2536
            9   C8x C    23.2011  -13.7603
            10  C8x C    22.0133  -15.8563
            11  C8y C    22.0133  -13.0617
            12  C8y C    20.7558  -15.1576
            13  C8y C    20.7558  -13.7603
            14  X   Cl   22.0133  -11.6644
            15  X   Cl   19.5680  -15.8563
            16  N1a N    19.5680  -13.0617
            17  C1a C    28.7356  -16.3812
            18  C1a C    27.3251  -13.9634
BOND        17
            1     2   3 1
            2     2   4 1
            3     3   5 1
            4     5   6 1
            5     6   7 1
            6     6   8 1
            7     7   9 1
            8     7  10 2
            9     9  11 2
            10   10  12 1
            11   11  13 1
            12   11  14 1
            13   12  15 1
            14   12  13 2
            15   13  16 1
            16    2  17 1
            17    2  18 1


entry: D01361
name: --- - Erythromycin ethylsuccinate (JP15/USP) - Erythrocin W (TN) - EES
formula: C43H75NO16
activity: Antibacterial
remark: Same as: C12796 Therapeutic category: 6141
kcf:
ATOM        60
            1   C1y C    26.6685   -9.4688
            2   C1z C    26.6685   -8.1507
            3   C1y C    25.5236  -10.1224
            4   O2a O    29.1257  -10.4999
            5   C1x C    25.5236   -7.4916
            6   O1a O    27.6627   -7.1957
            7   C1a C    27.9085   -8.5695
            8   C1y C    25.5236  -11.4405
            9   C1a C    24.5850   -9.1345
            10  C1y C    30.3129   -7.8458
            11  C1y C    25.5236   -6.1679
            12  O2a O    26.2385  -12.7531
            13  C1y C    24.3898  -12.0997
            14  C1y C    31.4424   -8.5142
            15  O2x O    30.3246   -6.5282
            16  C5x C    24.3898   -5.5143
            17  C1a C    26.6685   -5.5143
            18  C1y C    27.7044  -13.1571
            19  C7x C    23.2448  -11.4405
            20  C1a C    24.3898  -13.4176
            21  C1y C    32.6564   -7.8745
            22  O7a O    31.5013  -10.6489
            23  C1y C    31.4756   -5.8858
            24  C1y C    23.2448   -6.1679
            25  O5x O    24.3898   -4.1962
            26  C1x C    27.7044  -14.4698
            27  O2x O    28.8495  -12.4982
            28  O7x O    23.2448  -10.1224
            29  O7x O    22.2226  -12.3565
            30  C1x C    32.6027   -6.5617
            31  N1c N    33.7229   -8.5401
            32  C1a C    31.4946   -4.5703
            33  C1y C    23.2448   -7.4916
            34  C1a C    22.1055   -5.5143
            35  C1z C    28.8495  -15.1344
            36  C1y C    29.9831  -13.1571
            37  C1y C    22.1055   -9.4688
            38  C1z C    22.1055   -8.1507
            39  O1a O    24.3898   -8.1507
            40  C1y C    29.9831  -14.4698
            41  O2a O    28.8495  -16.4135
            42  C1a C    30.2457  -16.0840
            43  C1a C    31.1282  -12.5038
            44  C1b C    20.9659  -10.1224
            45  C1a C    20.8990   -8.6979
            46  O1a O    20.8990   -7.4861
            47  O1a O    31.1282  -15.1344
            48  C1a C    29.9106  -17.3407
            49  C1a C    20.9998  -11.2059
            50  C1a C    34.9280   -7.8560
            51  C7a C    32.6580  -11.3274
            52  O7a O    32.6580  -12.6811
            53  C1b C    33.7987  -10.6741
            54  C1b C    34.9498  -11.3443
            55  C1a C    33.7229   -9.8938
            56  C7a C    36.1516  -10.6561
            57  O7a O    37.3309  -11.3426
            58  O7a O    36.0870   -9.2405
            59  C1b C    38.5311  -10.6552
            60  C1a C    39.7112  -11.3421
BOND        62
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1 #Down
            9    10   4 1 #Down
            10    5  11 1
            11    8  12 1 #Down
            12    8  13 1
            13   10  14 1
            14   10  15 1
            15   11  16 1
            16   11  17 1 #Down
            17   18  12 1 #Down
            18   13  19 1
            19   13  20 1 #Up
            20   14  21 1
            21   14  22 1 #Up
            22   15  23 1
            23   16  24 1
            24   16  25 2
            25   18  26 1
            26   18  27 1
            27   19  28 1
            28   19  29 2
            29   21  30 1
            30   21  31 1 #Down
            31   23  32 1 #Down
            32   24  33 1
            33   24  34 1 #Up
            34   26  35 1
            35   27  36 1
            36   28  37 1
            37   33  38 1
            38   33  39 1 #Up
            39   35  40 1
            40   35  41 1 #Down
            41   35  42 1
            42   36  43 1 #Up
            43   37  44 1 #Down
            44   38  45 1 #Down
            45   38  46 1 #Up
            46   40  47 1 #Down
            47   41  48 1
            48   44  49 1
            49   23  30 1
            50   36  40 1
            51   37  38 1
            52   31  50 1
            53   22  51 1
            54   51  52 2
            55   51  53 1
            56   53  54 1
            57   31  55 1
            58   54  56 1
            59   56  57 1
            60   56  58 2
            61   57  59 1
            62   59  60 1


entry: D01362
name: --- - Tulobuterol hydrochloride (JP15) - Hokunalin (TN) - Respacal (TN)
formula: C12H19ClNO. Cl
remark: Same as: C12798 Therapeutic category: 2259
kcf:
ATOM        16
            1   C8x C    18.0058  -17.8028
            2   C8x C    18.0058  -19.2036
            3   C8x C    19.2218  -19.9039
            4   C8y C    20.4306  -19.2036
            5   C8y C    20.4306  -17.8028
            6   C8x C    19.2218  -17.1025
            7   C1c C    21.6443  -17.1035
            8   C1b C    22.8567  -17.8047
            9   O1a O    21.6453  -15.7028
            10  N1b N    24.0703  -17.1052 #+
            11  C1d C    25.2829  -17.8066
            12  C1a C    26.4966  -17.1070
            13  C1a C    25.2819  -19.2073
            14  C1a C    26.4879  -18.5032
            15  X   Cl   21.6443  -19.9031
            16  X   Cl   23.9460  -14.3732 #-
BOND        15
            1     1   2 2
            2     7   8 1
            3     2   3 1
            4     7   9 1
            5     3   4 2
            6     8  10 1
            7     4   5 1
            8    10  11 1
            9     5   6 2
            10   11  12 1
            11    6   1 1
            12   11  13 1
            13   11  14 1
            14    5   7 1
            15    4  15 1


entry: D01363
name: --- - Carboplatin (JAN/USP) - Paraplatin (TN)
formula: C6H6O4Pt. 2NH3
activity: Antineoplastic
remark: Therapeutic category: 4291
kcf:
ATOM        13
            1   C1x C    19.7997  -13.7249
            2   C1x C    20.7898  -14.7149
            3   C1x C    21.7798  -13.7249
            4   C1z C    20.7898  -12.7348
            5   O7x O    19.5742  -10.6345
            6   C7x C    19.5742  -12.0347
            7   C7x C    21.9982  -12.0347
            8   O7x O    21.9982  -10.6345
            9   Z   Pt   20.7198   -9.6544
            10  O7x O    18.3618  -12.7354
            11  O7x O    23.2114  -12.7338
            12  N0  N    25.3024  -10.9880
            13  N0  N    25.3732  -13.6753
BOND        12
            1     1   2 1
            2     2   3 1
            3     5   6 1
            4     6   4 1
            5     4   7 1
            6     7   8 1
            7     8   9 1
            8     9   5 1
            9     3   4 1
            10    6  10 2
            11    4   1 1
            12    7  11 2


entry: D01364
name: --- - Ciclopirox olamine (JAN/USP) - Loprox (TN)
formula: C12H17NO2. C2H7NO
activity: Antifungal
remark: Therapeutic category: 2659
kcf:
ATOM        19
            1   N4y N    18.8702  -16.2279
            2   C8y C    17.6585  -15.5265
            3   C8x C    17.6616  -14.1239
            4   C8y C    18.8728  -13.4290
            5   C8x C    20.0845  -14.1304
            6   C8y C    20.0850  -15.5267
            7   C1y C    16.4448  -16.2245
            8   C1x C    16.4470  -17.6239
            9   C1x C    15.2335  -18.3221
            10  C1x C    14.0221  -17.6200
            11  C1x C    14.0243  -16.2199
            12  C1x C    15.2380  -15.5219
            13  O5x O    21.2975  -16.2266
            14  O1b O    18.8694  -17.6280
            15  C1a C    18.8753  -12.0289
            16  C1b C    26.7564  -16.3095
            17  C1b C    25.5393  -15.6073
            18  N1a N    27.9678  -15.6073
            19  O1a O    24.3279  -16.3095
BOND        19
            1     3   4 1
            2     4   5 2
            3     7   8 1
            4     8   9 1
            5     9  10 1
            6    10  11 1
            7    11  12 1
            8    12   7 1
            9     5   6 1
            10    6  13 2
            11    6   1 1
            12    1  14 1
            13    4  15 1
            14    2   7 1
            15    1   2 1
            16    2   3 2
            17   16  17 1
            18   16  18 1
            19   17  19 1


entry: D01365
name: --- - Trepibutone (JP15) - Supacal (TN)
formula: C16H22O6
remark: Therapeutic category: 2369
kcf:
ATOM        22
            1   C8y C    21.9194  -18.6478
            2   C8x C    21.9194  -17.2477
            3   C8y C    23.1349  -16.5477
            4   C8y C    24.3432  -17.2477
            5   C8x C    24.3432  -18.6478
            6   C8y C    23.1349  -19.3479
            7   O2a O    23.0666  -20.7480
            8   O2a O    20.7072  -19.3485
            9   O2a O    23.0666  -15.1476
            10  C1b C    21.8548  -14.4460
            11  C1a C    20.6416  -15.1445
            12  C5a C    25.5561  -16.5485
            13  O5a O    25.5573  -15.1484
            14  C1b C    26.7682  -17.2496
            15  C1b C    27.9812  -16.5504
            16  C6a C    29.1933  -17.2513
            17  O6a O    30.4062  -16.5523
            18  O6a O    29.1921  -18.6514
            19  C1b C    19.4943  -18.6490
            20  C1a C    19.4936  -17.2489
            21  C1b C    21.8548  -21.4495
            22  C1a C    20.6416  -20.7510
BOND        22
            1    10  11 1
            2     5   6 2
            3     4  12 1
            4     6   1 1
            5    12  13 2
            6    12  14 1
            7     6   7 1
            8    14  15 1
            9     1   2 2
            10   15  16 1
            11    1   8 1
            12   16  17 1
            13    2   3 1
            14   16  18 2
            15    3   9 1
            16    8  19 1
            17    3   4 2
            18   19  20 1
            19    9  10 1
            20    7  21 1
            21    4   5 1
            22   21  22 1


entry: D01366
name: --- - Bezafibrate (JP15/USAN) - Bezatol SR (TN)
formula: C19H20ClNO4
activity: Antihyperlipoproteinemic
remark: Therapeutic category: 2183
kcf:
ATOM        25
            1   C8x C    20.0827  -19.2413
            2   C8y C    20.0827  -20.6407
            3   C8x C    21.2722  -21.3404
            4   C8x C    22.5316  -20.6407
            5   C8y C    22.5316  -19.2413
            6   C8x C    21.2722  -18.5416
            7   X   Cl   18.8932  -21.3404
            8   C5a C    23.7211  -18.5416
            9   N1b N    24.9106  -19.2413
            10  O5a O    23.7211  -17.1422
            11  C1b C    26.1701  -18.5416
            12  C1b C    27.3596  -19.2413
            13  C8y C    28.5490  -18.5416
            14  C8x C    29.8085  -19.2413
            15  C8x C    30.9980  -18.5416
            16  C8y C    30.9980  -17.1422
            17  C8x C    29.8085  -16.4425
            18  C8x C    28.5490  -17.1422
            19  O2a O    32.1875  -16.4425
            20  C1d C    33.4469  -17.1422
            21  C6a C    34.6364  -16.4425
            22  O6a O    35.8259  -17.1422
            23  O6a O    34.6364  -15.0431
            24  C1a C    32.7472  -18.3541
            25  C1a C    34.1466  -18.3541
BOND        26
            1     6   1 1
            2    12  13 1
            3     2   7 1
            4     1   2 2
            5     5   8 1
            6     2   3 1
            7    13  14 2
            8    14  15 1
            9    15  16 2
            10   16  17 1
            11   17  18 2
            12   18  13 1
            13    8   9 1
            14   16  19 1
            15    3   4 2
            16   19  20 1
            17    8  10 2
            18   20  21 1
            19    4   5 1
            20   21  22 1
            21    9  11 1
            22   21  23 2
            23    5   6 2
            24   11  12 1
            25   20  24 1
            26   20  25 1


entry: D01367
name: --- - Fluorometholone (JP15/USP) - Oxylone (TN) - NSC 33001
formula: C22H29FO4
activity: Glucocorticoid
remark: Therapeutic category: 1315
kcf:
ATOM        27
            1   C2x C    27.1524  -16.5415
            2   C5x C    27.1524  -17.8678
            3   C2x C    28.3391  -18.5658
            4   C2y C    29.5258  -17.8678
            5   C1z C    29.5258  -16.5415
            6   C2x C    28.3391  -15.8435
            7   C1y C    30.7822  -18.5658
            8   C1x C    31.9689  -17.8678
            9   C1y C    31.9689  -16.5415
            10  C1z C    30.7822  -15.8435
            11  C1y C    33.1556  -15.8435
            12  C1z C    33.1556  -14.4474
            13  C1x C    31.9689  -13.7494
            14  C1y C    30.7822  -14.4474
            15  C1x C    34.4818  -16.2623
            16  C1x C    35.2497  -15.1454
            17  C1z C    34.4818  -14.0286
            18  O5x O    25.9658  -18.5658
            19  C1a C    29.5258  -15.1454
            20  O1a O    29.5258  -13.7494
            21  C1a C    33.1556  -13.0513
            22  C5a C    34.4818  -12.2845
            23  X   F    30.7822  -17.1697
            24  C1a C    30.7822  -19.9619
            25  O5a O    35.6685  -11.5864
            26  C1a C    33.2952  -11.5864
            27  O1a O    35.8341  -13.6662
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 2
            22    5  19 1 #Up
            23   14  20 1 #Up
            24   12  21 1 #Up
            25   17  22 1 #Up
            26   10  23 1 #Down
            27    7  24 1 #Down
            28   22  25 2
            29   22  26 1
            30   17  27 1 #Down


entry: D01368
name: --- - Cyproterone acetate (JAN/USAN)
formula: C24H29ClO4
activity: Anti-androgen
remark: Therapeutic category: 2499
kcf:
ATOM        29
            1   C1y C     7.2100  -10.9200
            2   C5x C     7.2100  -12.3200
            3   C2x C     8.4224  -13.0200
            4   C2y C     9.6349  -12.3200
            5   C1z C     9.6349  -10.9200
            6   C1y C     8.4224  -10.2200
            7   C2y C    10.8473  -13.0200
            8   C2x C    12.0597  -12.3200
            9   C1y C    12.0597  -10.9200
            10  C1y C    10.8473  -10.2200
            11  C1y C    13.2722  -10.2200
            12  C1z C    13.2722   -8.8200
            13  C1x C    12.0597   -8.1200
            14  C1x C    10.8473   -8.8200
            15  C1x C    15.6970  -10.2200
            16  C1x C    15.6970   -8.8200
            17  C1z C    14.4846   -8.1200
            18  X   Cl   10.8473  -14.4200
            19  O5x O     5.9976  -13.0200
            20  C1a C     9.6349   -9.1700
            21  C1a C    13.2722   -7.4200
            22  C5a C    14.4846   -6.7200
            23  C1x C     7.2100   -9.5200
            24  O7a O    15.6970   -7.4200
            25  C7a C    16.8966   -8.1127
            26  C1a C    18.0859   -7.4260
            27  O7a O    16.8967   -9.5197
            28  O5a O    15.7011   -6.0177
            29  C1a C    13.2762   -6.0223
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    7  18 1
            22    2  19 2
            23    5  20 1 #Up
            24   12  21 1 #Up
            25   17  22 1 #Up
            26    1  23 1 #Down
            27    6  23 1 #Down
            28   17  24 1 #Down
            29   24  25 1
            30   25  26 1
            31   25  27 2
            32   22  28 2
            33   22  29 1


entry: D01369
name: --- - Bevantolol hydrochloride (JAN/USAN) - Vantol (TN) - Calvan (TN)
formula: C20H27NO4. HCl
activity: Anti-anginal; Antihypertensive; Cardiac depressant [anti-arrythmic]
remark: Therapeutic category: 2149
kcf:
ATOM        26
            1   C8y C    18.1764  -18.1706
            2   C8x C    18.1764  -16.7731
            3   C8x C    19.3643  -16.0744
            4   C8x C    20.5521  -16.7731
            5   C8y C    20.5521  -18.1706
            6   C8x C    19.3643  -18.9392
            7   O2a O    21.8098  -18.8693
            8   C1b C    22.9976  -18.1706
            9   C1c C    24.1855  -18.8693
            10  C1b C    25.4432  -18.1706
            11  O1a O    24.1855  -20.2667
            12  N1b N    26.6310  -18.8693
            13  C1b C    27.8188  -18.1706
            14  C1a C    16.9187  -18.9392
            15  C1b C    29.0765  -18.8693
            16  C8y C    30.2644  -18.1706
            17  C8x C    30.2644  -16.7731
            18  C8x C    31.4522  -16.0744
            19  C8y C    32.6400  -16.7731
            20  C8y C    32.6400  -18.1706
            21  C8x C    31.4522  -18.8693
            22  O2a O    33.8978  -16.0744
            23  C1a C    35.0856  -16.7731
            24  O2a O    33.8978  -18.8693
            25  C1a C    35.0856  -18.1706
            26  X   Cl   32.6306  -20.7598
BOND        26
            1     5   6 2
            2    12  13 1
            3     6   1 1
            4     1  14 1
            5    13  15 1
            6     5   7 1
            7    15  16 1
            8     7   8 1
            9     1   2 2
            10    8   9 1
            11    2   3 1
            12   16  17 2
            13   17  18 1
            14   18  19 2
            15   19  20 1
            16   20  21 2
            17   21  16 1
            18    9  10 1
            19   19  22 1
            20    3   4 2
            21   22  23 1
            22    9  11 1
            23   20  24 1
            24    4   5 1
            25   24  25 1
            26   10  12 1


entry: D01370
name: --- - Cladribine (JAN/USAN) - Leustatin (TN)
formula: C10H12ClN5O3
activity: Antineoplastic
remark: Therapeutic category: 4291
kcf:
ATOM        19
            1   C1y C    13.2977  -19.5392
            2   C1x C    14.6838  -19.5392
            3   C1y C    15.1121  -18.2209
            4   O2x O    13.9907  -17.4062
            5   C1y C    12.8694  -18.2209
            6   N5x N    17.5130  -19.6070
            7   C8y C    17.5130  -18.2209
            8   N4y N    16.3126  -17.5278
            9   C1b C    11.6689  -17.5278
            10  O1a O    10.4685  -18.2209
            11  O1a O    12.4829  -20.6606
            12  C8y C    18.7133  -20.3000
            13  N5x N    19.9138  -19.6070
            14  C8y C    19.9138  -18.2209
            15  C8y C    18.7133  -17.5278
            16  C8x C    16.7284  -16.1436
            17  N5x N    18.2975  -16.1432
            18  X   Cl   18.7133  -21.6877
            19  N1a N    21.1159  -17.5266
BOND        21
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     6   7 1
            7     7   8 1
            8     3   8 1 #Up
            9     5   9 1 #Up
            10    9  10 1
            11    1  11 1 #Down
            12    6  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16    7  15 2
            17    8  16 1
            18   15  17 1
            19   16  17 2
            20   12  18 1
            21   14  19 1


entry: D01371
name: --- - Vinpocetine (JAN/USAN)
formula: C22H26N2O2
remark: Therapeutic category: 2190
kcf:
ATOM        26
            1   C8y C     8.0500  -11.4100
            2   C8y C     8.0500  -10.0100
            3   C8x C     6.8600   -9.3100
            4   C8x C     5.6000  -10.0100
            5   C8x C     5.6000  -11.4100
            6   C8x C     6.8600  -12.1100
            7   N4y N     9.3815  -11.8426
            8   C8y C    10.2044  -10.7100
            9   C8y C     9.3815   -9.5774
            10  C1y C    11.6044  -10.7100
            11  N1y N    12.3044   -9.4976
            12  C1x C    11.6044   -8.2851
            13  C1x C    10.2044   -8.2851
            14  C2y C    10.2044  -13.1349
            15  C2x C    11.6044  -13.1349
            16  C1z C    12.3044  -11.9224
            17  C1x C    13.7044  -11.9224
            18  C1x C    14.4044  -10.7100
            19  C1x C    13.7044   -9.4976
            20  C7a C     9.5238  -14.3746
            21  O7a O     8.1211  -14.3349
            22  O7a O    10.2082  -15.5692
            23  C1b C     9.5197  -16.7523
            24  C1a C    10.2061  -17.9504
            25  C1b C    13.0044  -13.1349
            26  C1a C    14.4198  -13.1346
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 2
            10    2   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13   9 1
            16    7  14 1
            17   14  15 2
            18   15  16 1
            19   10  16 1
            20   16  17 1
            21   17  18 1
            22   18  19 1
            23   19  11 1
            24   14  20 1
            25   20  21 2
            26   20  22 1
            27   22  23 1
            28   23  24 1
            29   16  25 1 #Down
            30   25  26 1


entry: D01372
name: --- - Zopiclone (JAN) - Zopiclone (TN) - Amoban (TN)
formula: C17H17ClN6O3
remark: Therapeutic category: 1129
kcf:
ATOM        27
            1   C8x C    25.0643  -11.5583
            2   C8x C    25.0643  -12.9592
            3   N5x N    26.2775  -13.6596
            4   C8y C    27.4908  -12.9592
            5   C8y C    27.4908  -11.5583
            6   N5x N    26.2775  -10.8578
            7   C1y C    28.8230  -13.3920
            8   N1y N    29.6464  -12.2587
            9   C5x C    28.8230  -11.1254
            10  C8y C    31.0180  -12.2587
            11  N5x N    31.7185  -13.4719
            12  C8x C    33.1194  -13.4719
            13  C8y C    33.8198  -12.2587
            14  C8x C    33.1194  -11.0455
            15  C8x C    31.7185  -11.0455
            16  O5x O    29.2544   -9.7977
            17  X   Cl   35.2207  -12.2587
            18  O7a O    28.8230  -14.7929
            19  C7a C    30.0482  -15.5006
            20  N1y N    30.0478  -16.8816
            21  O7a O    31.2616  -14.8004
            22  C1x C    28.8266  -17.5862
            23  C1x C    28.8263  -18.9871
            24  N1y N    30.0393  -19.6878
            25  C1x C    31.2605  -18.9832
            26  C1x C    31.2609  -17.5823
            27  C1a C    30.0390  -21.0842
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    8  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18    9  16 2
            19   13  17 1
            20   18  19 1
            21   19  20 1
            22   19  21 2
            23    7  18 1
            24   20  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   20  26 1
            30   24  27 1


entry: D01373
name: --- - Formoterol fumarate (USAN) - Foradil (TN)
formula: (C19H24N2O4)2. C4H4O4
activity: Bronchodilator
remark: Therapeutic category: 2259
kcf:
ATOM        58
            1   C6a C    32.3768  -20.3367
            2   C2b C    33.5845  -21.0369
            3   O6a O    31.1691  -21.0369
            4   O6a O    32.3768  -18.9425
            5   C2b C    34.7979  -20.3367
            6   C6a C    36.0056  -21.0369
            7   O6a O    37.2133  -20.3367
            8   O6a O    36.0056  -22.4313
            9   C8y C    24.0134  -15.4026
            10  C8x C    22.8229  -14.7024
            11  C8x C    24.0134  -16.8032
            12  C1c C    25.2039  -14.7024
            13  C8y C    21.5625  -15.4026
            14  C8x C    22.8229  -17.5035
            15  C1b C    26.4644  -15.4026
            16  O1a O    25.2039  -13.3018
            17  C8y C    21.5625  -16.8032
            18  N1b N    20.3720  -14.7024
            19  N1b N    27.6548  -14.7024
            20  O1a O    20.3720  -17.5035
            21  C4a C    19.1815  -15.4026
            22  C1c C    28.8453  -15.4026
            23  O4a O    17.9210  -14.7024
            24  C1b C    30.0358  -14.7024
            25  C1a C    28.8453  -16.8032
            26  C8y C    31.2963  -15.4026
            27  C8x C    31.2963  -16.8032
            28  C8x C    32.4867  -14.7024
            29  C8x C    32.4867  -17.5035
            30  C8x C    33.6772  -15.4026
            31  C8y C    33.6772  -16.8032
            32  O2a O    34.9377  -17.5735
            33  C1a C    36.1282  -16.8732
            34  C8y C    24.0134  -15.4026
            35  C8x C    22.8229  -14.7024
            36  C8y C    21.5625  -15.4026
            37  C8y C    21.5625  -16.8032
            38  O1a O    20.3720  -17.5035
            39  C8x C    22.8229  -17.5035
            40  C8x C    24.0134  -16.8032
            41  N1b N    20.3720  -14.7024
            42  C4a C    19.1815  -15.4026
            43  O4a O    17.9210  -14.7024
            44  C1c C    25.2039  -14.7024
            45  C1b C    26.4644  -15.4026
            46  N1b N    27.6548  -14.7024
            47  C1c C    28.8453  -15.4026
            48  C1b C    30.0358  -14.7024
            49  C8y C    31.2963  -15.4026
            50  C8x C    31.2963  -16.8032
            51  C8x C    32.4867  -17.5035
            52  C8y C    33.6772  -16.8032
            53  O2a O    34.9377  -17.5735
            54  C1a C    36.1282  -16.8732
            55  C8x C    33.6772  -15.4026
            56  C8x C    32.4867  -14.7024
            57  C1a C    28.8453  -16.8032
            58  O1a O    25.2039  -13.3018
BOND        59
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8     9  10 2
            9     9  11 1
            10    9  12 1
            11   10  13 1
            12   11  14 2
            13   12  15 1
            14   12  16 1
            15   13  17 2
            16   13  18 1
            17   15  19 1
            18   17  20 1
            19   18  21 1
            20   19  22 1
            21   21  23 2
            22   22  24 1
            23   22  25 1
            24   24  26 1
            25   26  27 2
            26   26  28 1
            27   27  29 1
            28   28  30 2
            29   29  31 2
            30   31  32 1
            31   32  33 1
            32   14  17 1
            33   30  31 1
            34   34  35 2
            35   34  40 1
            36   34  44 1
            37   35  36 1
            38   40  39 2
            39   44  45 1
            40   44  58 1
            41   36  37 2
            42   36  41 1
            43   45  46 1
            44   37  38 1
            45   41  42 1
            46   46  47 1
            47   42  43 2
            48   47  48 1
            49   47  57 1
            50   48  49 1
            51   49  50 2
            52   49  56 1
            53   50  51 1
            54   56  55 2
            55   51  52 2
            56   52  53 1
            57   53  54 1
            58   39  37 1
            59   55  52 1


entry: D01374
name: --- - Allylestrenol (JAN) - Perselin (TN)
formula: C21H32O
remark: Same as: C12811 Therapeutic category: 2479
kcf:
ATOM        22
            1   C1x C    12.1800  -11.1300
            2   C1x C    12.1800  -12.5300
            3   C2x C    13.3924  -13.2300
            4   C2y C    14.6049  -12.5300
            5   C1y C    14.6049  -11.1300
            6   C1x C    13.3924  -10.4300
            7   C1x C    15.8173  -13.2300
            8   C1x C    17.0297  -12.5300
            9   C1y C    17.0297  -11.1300
            10  C1y C    15.8173  -10.4300
            11  C1y C    18.2422  -10.4300
            12  C1z C    18.2422   -9.0300
            13  C1x C    17.0297   -8.3300
            14  C1x C    15.8173   -9.0300
            15  C1x C    20.6670  -10.4300
            16  C1x C    20.6670   -9.0300
            17  C1z C    19.4546   -8.3300
            18  C1a C    18.2422   -7.6300
            19  O1a O    19.4546   -6.9300
            20  C1b C    20.6711   -7.6277
            21  C2b C    21.8686   -8.3192
            22  C2a C    23.0549   -7.6343
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22   17  19 1 #Up
            23   17  20 1 #Down
            24   20  21 1
            25   21  22 2


entry: D01375
name: --- - Metenolone acetate (JP15) - Methenolone acetate (USAN) - Primobolan (TN)
formula: C22H32O3
activity: Anabolic
remark: Therapeutic category: 2449
kcf:
ATOM        25
            1   C2x C    21.5776  -20.7553
            2   C5x C    21.5776  -22.1266
            3   C1x C    22.7680  -22.8123
            4   C2y C    22.7680  -20.0697
            5   C1z C    23.9515  -20.7553
            6   C1y C    23.9457  -22.1266
            7   C1x C    25.1304  -22.8173
            8   C1x C    26.3208  -22.1368
            9   C1y C    25.1422  -20.0747
            10  C1y C    26.3210  -20.7683
            11  C1x C    26.3434  -18.0328
            12  C1x C    25.1533  -18.7070
            13  C1z C    27.5222  -18.7265
            14  C1y C    27.5058  -20.0900
            15  C1x C    29.8674  -20.1185
            16  C1x C    29.8841  -18.7551
            17  C1y C    28.7114  -18.0589
            18  O5x O    20.3904  -22.8128
            19  O7a O    28.7280  -16.6878
            20  C7a C    29.9238  -16.0166
            21  O7a O    29.8704  -14.6453
            22  C1a C    31.1029  -16.7165
            23  C1a C    27.5131  -17.3547
            24  C1a C    23.9394  -19.3840
            25  C1a C    22.7551  -18.6984
BOND        28
            1     3   6 1
            2     5   6 1
            3     6   7 1
            4     7   8 1
            5    13  14 1
            6    15  16 1
            7    16  17 1
            8    17  13 1
            9    14  15 1
            10    8  10 1
            11    2  18 2
            12    9   5 1
            13    5   4 1
            14    4   1 2
            15    1   2 1
            16   17  19 1 #Up
            17    9  10 1
            18   19  20 1
            19   10  14 1
            20   20  21 2
            21   13  11 1
            22   20  22 1
            23   11  12 1
            24   13  23 1 #Up
            25   12   9 1
            26    5  24 1 #Up
            27    2   3 1
            28    4  25 1


entry: D01376
name: --- - Iodamide (JP15/USAN) - Jodomiron (TN)
formula: C12H11I3N2O4
activity: Diagnostic aid [radiopaque medium]
remark: Therapeutic category: 7211
kcf:
ATOM        21
            1   C8y C    29.2798  -16.9731
            2   C8y C    29.2798  -18.3732
            3   C8y C    28.0643  -19.0733
            4   C8y C    26.8560  -18.3732
            5   C8y C    26.8560  -16.9731
            6   C8y C    28.0643  -16.2730
            7   X   I    28.0625  -20.4734
            8   X   I    25.6429  -16.2741
            9   X   I    30.4919  -16.2725
            10  C6a C    28.0625  -14.8729
            11  O6a O    26.8490  -14.1744
            12  O6a O    29.2742  -14.1714
            13  C1b C    25.6429  -19.0724
            14  N1b N    24.4308  -18.3715
            15  C5a C    23.2177  -19.0706
            16  C1a C    22.0058  -18.3697
            17  O5a O    23.2167  -20.4707
            18  N1b N    30.4919  -19.0740
            19  C5a C    31.7048  -18.3746
            20  C1a C    32.9170  -19.0751
            21  O5a O    31.7055  -16.9745
BOND        21
            1     4   5 1
            2    10  11 2
            3     5   6 2
            4    10  12 1
            5     6   1 1
            6     4  13 1
            7    13  14 1
            8     3   7 1
            9    14  15 1
            10    1   2 2
            11   15  16 1
            12    5   8 1
            13   15  17 2
            14    2   3 1
            15    2  18 1
            16    1   9 1
            17   18  19 1
            18    3   4 2
            19   19  20 1
            20    6  10 1
            21   19  21 2


entry: D01377
name: --- - Prifinium bromide (JAN) - Padrin (TN)
formula: C22H28N. Br
remark: Therapeutic category: 1231
kcf:
ATOM        24
            1   C8x C    18.8076  -20.2443
            2   C8x C    18.8076  -21.6440
            3   C8x C    20.0227  -22.3438
            4   C8x C    21.2307  -21.6440
            5   C8y C    21.2307  -20.2443
            6   C8x C    20.0227  -19.5445
            7   C2c C    22.4433  -19.5453
            8   C8y C    23.6550  -20.2462
            9   C2y C    22.4444  -18.1457
            10  C8x C    23.6484  -21.6438
            11  C8x C    24.8601  -22.3445
            12  C8x C    26.0726  -21.6457
            13  C8x C    26.0736  -20.2460
            14  C8x C    24.8621  -19.5452
            15  C1x C    23.5749  -17.3210
            16  C1x C    23.1435  -15.9894
            17  N2y N    21.7439  -15.9885 #+
            18  C1y C    21.3102  -17.3193
            19  C1a C    19.9786  -17.7504
            20  C1b C    22.1018  -14.6245
            21  C1b C    20.3417  -15.9817
            22  C1a C    23.4519  -14.2553
            23  C1a C    19.6478  -14.7662
            24  X   Br   27.2622  -16.0806 #-
BOND        25
            1     6   1 1
            2     8  10 2
            3    10  11 1
            4    11  12 2
            5    12  13 1
            6    13  14 2
            7    14   8 1
            8     5   7 1
            9     7   8 1
            10    9  15 1
            11   15  16 1
            12   16  17 1
            13   17  18 1
            14   18   9 1
            15    1   2 2
            16   18  19 1
            17    7   9 2
            18   17  20 1
            19    2   3 1
            20   17  21 1
            21    3   4 2
            22   20  22 1
            23    4   5 1
            24   21  23 1
            25    5   6 2


entry: D01378
name: --- - Bufogenin (JAN)
formula: C24H32O4
remark: Therapeutic category: 2219
kcf:
ATOM        28
            1   C1x C    21.0000  -17.7100
            2   C1y C    21.0000  -19.0400
            3   C1x C    22.1900  -19.7400
            4   C1x C    22.1900  -17.0800
            5   C1z C    23.3100  -17.7100
            6   C1y C    23.3100  -19.0400
            7   C1x C    24.4300  -19.7400
            8   C1x C    25.5500  -19.0400
            9   C1y C    24.4300  -17.0800
            10  C1y C    25.5500  -17.7100
            11  C1x C    25.6200  -15.1200
            12  C1x C    24.4300  -15.7500
            13  C1z C    26.7400  -15.7500
            14  C1x C    28.9800  -15.8200
            15  C1y C    27.8600  -15.1200
            16  C1y C    28.9800  -17.0800
            17  C1z C    26.7400  -17.0800
            18  C8y C    27.8600  -13.7900
            19  C1a C    26.7400  -14.4900
            20  C1a C    23.3100  -16.3800
            21  O1a O    19.8800  -19.7400
            22  C8x C    29.0500  -13.1600
            23  C8x C    29.0500  -11.8300
            24  C8y C    27.9300  -11.2000
            25  O7x O    26.7400  -11.8300
            26  C8x C    26.7400  -13.1600
            27  O7x O    27.9300   -9.8700
            28  O2x O    27.9189  -18.4411
BOND        33
            1     5   6 1
            2    13  17 1
            3    16  14 1
            4    14  15 1
            5    15  13 1
            6     6   7 1
            7     7   8 1
            8     8  10 1
            9     9   5 1
            10   15  18 1
            11    5   4 1
            12   13  19 1 #Up
            13    4   1 1
            14    5  20 1 #Up
            15    1   2 1
            16    2  21 1 #Up
            17    9  10 1
            18   10  17 1
            19   13  11 1
            20   11  12 1
            21   12   9 1
            22   18  22 1
            23   22  23 2
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  18 2
            28    2   3 1
            29   24  27 2
            30    3   6 1
            31   17  28 1 #Up
            32   17  16 1
            33   16  28 1 #Up


entry: D01379
name: --- - Proscillaridin (JAN/USAN) - Talusin (TN)
formula: C30H42O8
activity: Cardiotonic
remark: Therapeutic category: 2116
kcf:
ATOM        38
            1   C1x C    24.1540  -20.8489
            2   C1y C    24.1540  -22.2282
            3   C2x C    25.3515  -22.9179
            4   C1x C    25.3515  -20.1592
            5   C1z C    26.5419  -20.8489
            6   C2y C    26.5360  -22.2282
            7   C1x C    27.7276  -22.9231
            8   C1x C    28.9251  -22.2384
            9   C1y C    27.7393  -20.1644
            10  C1y C    28.9251  -20.8621
            11  C1x C    28.9476  -18.1106
            12  C1x C    27.7507  -18.7887
            13  C1z C    30.1335  -18.8081
            14  C1x C    32.5090  -18.8370
            15  C1y C    31.3296  -18.1368
            16  C1x C    32.4925  -20.1385
            17  C1z C    30.1292  -20.1921
            18  C8y C    31.3462  -16.7575
            19  C1a C    30.1242  -17.4284
            20  C1a C    26.5295  -19.4695
            21  O2a O    22.9598  -22.9185
            22  C8x C    32.5460  -16.0879
            23  C8x C    32.5627  -14.7085
            24  C8y C    31.3766  -14.0045
            25  O7x O    30.1738  -14.6796
            26  C8x C    30.1571  -16.0589
            27  O7x O    31.3933  -12.6253
            28  O1a O    30.1173  -21.5664
            29  C1y C    21.7650  -22.2295
            30  O2x O    21.7647  -20.8515
            31  C1y C    20.5697  -20.1625
            32  C1y C    19.3755  -20.8527
            33  C1y C    19.3763  -22.2320
            34  C1y C    20.5711  -22.9212
            35  C1a C    20.5691  -18.7832
            36  O1a O    20.5726  -24.3006
            37  O1a O    18.1821  -22.9224
            38  O1a O    18.1807  -20.1637
BOND        43
            1     9   5 1
            2    13  19 1 #Up
            3     5   4 1
            4     5  20 1 #Up
            5     4   1 1
            6     2  21 1 #Up
            7     1   2 1
            8     9  10 1
            9    10  17 1
            10   13  11 1
            11   18  22 1
            12   22  23 2
            13   23  24 1
            14   24  25 1
            15   25  26 1
            16   26  18 2
            17   11  12 1
            18   24  27 2
            19   12   9 1
            20   17  28 1 #Up
            21    2   3 1
            22   21  29 1
            23    3   6 2
            24    5   6 1
            25   13  17 1
            26   16  14 1
            27   14  15 1
            28   29  30 1
            29   30  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   34  29 1
            34   15  13 1
            35   31  35 1 #Down
            36    6   7 1
            37   34  36 1 #Down
            38    7   8 1
            39   33  37 1 #Down
            40   16  17 1
            41   32  38 1 #Up
            42    8  10 1
            43   15  18 1 #Up


entry: D01380
name: --- - Isopropylantipyrine (JP15) - Propyphenazone - Yoshipyrin (TN)
formula: C14H18N2O
remark: Therapeutic category: 1144
comment: Component of SG (TN), Saridon (TN)
kcf:
ATOM        17
            1   N4y N    24.9719  -18.5123
            2   C8y C    23.7780  -19.2462
            3   C8y C    26.2709  -19.0540
            4   N4y N    25.0885  -17.1260
            5   C8x C    22.5431  -18.5765
            6   C8x C    23.8128  -20.6441
            7   C8y C    27.1794  -17.9939
            8   O5x O    26.5913  -20.4169
            9   C8y C    26.4514  -16.7998
            10  C1a C    24.0226  -16.2117
            11  C8x C    21.3491  -19.3102
            12  C8x C    22.6188  -21.3721
            13  C1c C    28.5716  -18.1045
            14  C1a C    26.9815  -15.5068
            15  C8x C    21.3899  -20.7141
            16  C1a C    29.1773  -19.3685
            17  C1a C    29.3696  -16.9513
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   13  16 1
            16   13  17 1
            17    7   9 2
            18   12  15 2


entry: D01381
name: --- - Crotamiton (JAN/USP) - Eurax (TN)
formula: C13H17NO
activity: Scabicide
remark: Therapeutic category: 2649
comment: Component of Eurax H (TN)
kcf:
ATOM        15
            1   C8x C    16.3587  -15.0899
            2   C8x C    16.3587  -16.4901
            3   C8x C    17.5742  -17.1901
            4   C8y C    18.7825  -16.4901
            5   C8y C    18.7825  -15.0899
            6   C8x C    17.5742  -14.3899
            7   N1c N    19.9956  -14.3907
            8   C5a C    21.2077  -15.0918
            9   C1b C    19.9967  -12.9906
            10  C1a C    21.2098  -12.2915
            11  C2b C    22.4209  -14.3926
            12  O5a O    21.2067  -16.4919
            13  C2b C    23.6328  -15.0935
            14  C1a C    24.8459  -14.3944
            15  C1a C    19.9956  -17.1893
BOND        15
            1     1   2 2
            2     7   8 1
            3     2   3 1
            4     7   9 1
            5     3   4 2
            6     9  10 1
            7     4   5 1
            8     8  11 1
            9     5   6 2
            10    8  12 2
            11    6   1 1
            12   11  13 2
            13   13  14 1
            14    5   7 1
            15    4  15 1


entry: D01382
name: --- - Metharbital (JAN) - Gemonil (TN)
formula: C9H14N2O3
remark: Therapeutic category: 1134
kcf:
ATOM        14
            1   C1z C    26.4697  -18.3147
            2   C5x C    26.4697  -19.7202
            3   C5x C    25.2566  -17.6149
            4   C1b C    27.8577  -18.3147
            5   C1b C    26.4639  -16.9209
            6   N1y N    25.2566  -20.4201
            7   O5x O    27.6769  -20.4201
            8   N1x N    24.0377  -18.3147
            9   O5x O    25.2450  -16.2094
            10  C1a C    28.5576  -17.1075
            11  C1a C    27.6769  -16.2151
            12  C5x C    24.0377  -19.7202
            13  O5x O    22.8188  -20.4084
            14  C1a C    25.2580  -21.8155
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12   12  13 2
            13    8  12 1
            14    6  14 1


entry: D01383
name: --- - Pethidine hydrochloride (JP15) - Meperidine hydrochloride (USP) - Demerol (TN)
formula: C15H21NO2. HCl
activity: Analgesic [narcotic]
remark: Therapeutic category: 8211
comment: Component of Pethilorfan (TN)
kcf:
ATOM        19
            1   X   Cl   28.2452  -17.0804
            2   C8x C    21.1400  -14.4900
            3   C8y C    21.1400  -15.8900
            4   C8x C    22.3524  -16.5900
            5   C8x C    23.5649  -15.8900
            6   C8x C    23.5649  -14.4900
            7   C8x C    22.3524  -13.7900
            8   C1z C    19.9276  -16.5900
            9   C1x C    18.7321  -15.8996
            10  C1x C    17.5196  -16.5995
            11  N1y N    17.5194  -17.9995
            12  C1x C    18.7149  -18.6899
            13  C1x C    19.9274  -17.9900
            14  C1a C    16.2966  -18.7054
            15  C7a C    20.6276  -17.8024
            16  O7a O    22.0498  -17.8028
            17  O7a O    19.9429  -18.9883
            18  C1b C    22.7397  -18.9983
            19  C1a C    24.1497  -18.9988
BOND        19
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     3   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13    8  13 1
            14   11  14 1
            15    8  15 1
            16   15  16 1
            17   15  17 2
            18   16  18 1
            19   18  19 1


entry: D01384
name: --- - Tolciclate (JAN/USAN)
formula: C20H21NOS
activity: Antifungal
remark: Therapeutic category: 2659
kcf:
ATOM        23
            1   C1y C    30.3584  -15.8468
            2   C1x C    29.9009  -17.2607
            3   C8x C    19.5310  -16.5634
            4   C8y C    19.5310  -17.9523
            5   C8x C    20.7367  -18.6467
            6   C8y C    21.9353  -17.9523
            7   C8x C    21.9353  -16.5634
            8   C8x C    20.7367  -15.8690
            9   N1c N    23.1387  -18.6457
            10  C1a C    23.1397  -20.0346
            11  C2c C    24.3408  -17.9504
            12  O2a O    25.5442  -18.6440
            13  S0  S    24.3398  -16.5616
            14  C8y C    26.7465  -17.9486
            15  C8x C    27.9440  -18.6447
            16  C8x C    27.9420  -15.8670
            17  C8x C    26.7396  -16.5622
            18  C8y C    29.1403  -16.5558
            19  C8y C    29.1453  -17.9654
            20  C1y C    30.3684  -18.6659
            21  C1x C    31.5865  -17.9568
            22  C1x C    31.5816  -16.5472
            23  C1a C    18.3285  -18.6472
BOND        26
            1    11  12 1
            2     5   6 2
            3    11  13 2
            4     6   7 1
            5    12  14 1
            6     7   8 2
            7     8   3 1
            8     1   2 1
            9    14  15 2
            10   15  19 1
            11   18  16 1
            12   16  17 2
            13   17  14 1
            14    6   9 1
            15    9  10 1
            16    3   4 2
            17    9  11 1
            18   18  19 2
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22   1 1
            23    1  18 1
            24    2  20 1
            25    4   5 1
            26    4  23 1


entry: D01385
name: --- - Ibudilast (JAN) - Ketas (TN)
formula: C14H18N2O
remark: Therapeutic category: 1319 4490
kcf:
ATOM        17
            1   C8y C    26.3467  -17.4611
            2   C8x C    22.5976  -15.6181
            3   C8x C    22.5976  -17.0187
            4   C8x C    23.8136  -17.7190
            5   C8x C    23.8136  -14.9178
            6   N4y N    25.0223  -15.6181
            7   C8y C    25.0164  -17.0221
            8   C8y C    27.1797  -16.3293
            9   N5x N    26.3594  -15.1900
            10  C1c C    28.5804  -16.3364
            11  C5a C    26.7725  -18.7953
            12  C1c C    25.8297  -19.8313
            13  O5a O    28.1408  -19.0939
            14  C1a C    29.2744  -17.5532
            15  C1a C    29.2870  -15.1271
            16  C1a C    24.4763  -19.5360
            17  C1a C    26.2549  -21.1640
BOND        18
            1     1   8 1
            2     8   9 2
            3     9   6 1
            4     6   5 1
            5     8  10 1
            6     5   2 2
            7     1  11 1
            8    11  12 1
            9     2   3 1
            10   11  13 2
            11    3   4 2
            12    4   7 1
            13    6   7 1
            14   10  14 1
            15    7   1 2
            16   10  15 1
            17   12  16 1
            18   12  17 1


entry: D01386
name: --- - Ephedrine hydrochloride (JP15/USP) - Ephedrine hydrochloride (TN)
formula: C10H15NO. HCl
activity: Bronchodilator
remark: Therapeutic category: 2221
comment: Component of Asthpyllin (TN), Asthmolysin D (TN), Sekicode (TN)
kcf:
ATOM        13
            1   C8x C    17.0325  -17.0009
            2   C8x C    17.0325  -18.4031
            3   C8x C    18.2497  -19.1041
            4   C8x C    19.4598  -18.4031
            5   C8y C    19.4598  -17.0009
            6   C8x C    18.2497  -16.2999
            7   C1c C    20.6653  -16.2999
            8   C1c C    21.8762  -16.9938
            9   N1b N    23.0872  -16.2927
            10  C1a C    24.2981  -16.9867
            11  O1a O    20.6609  -14.8977
            12  C1a C    21.8793  -18.3959
            13  X   Cl   29.1200  -17.5000
BOND        12
            1     6   1 1
            2     5   7 1
            3     1   2 2
            4     7   8 1
            5     2   3 1
            6     8   9 1
            7     3   4 2
            8     9  10 1
            9     4   5 1
            10    7  11 1 #Up
            11    5   6 2
            12    8  12 1 #Up


entry: D01387
name: --- - Amcinonide (JAN/USP) - Cyclocort (TN)
formula: C28H35FO7
activity: Glucocorticoid
remark: Therapeutic category: 2646
kcf:
ATOM        36
            1   C1z C    29.7827  -16.4643
            2   C1x C    31.0914  -16.9140
            3   C1x C    31.9232  -15.8082
            4   C1x C    31.1287  -14.6754
            5   C1x C    29.7358  -15.0810
            6   C2x C    20.3088  -19.5840
            7   C5x C    20.3088  -20.9677
            8   C2x C    21.5100  -21.6595
            9   C2x C    21.5100  -18.8922
            10  C1z C    22.7042  -19.5840
            11  C2y C    22.6981  -20.9677
            12  C1x C    23.8934  -21.6646
            13  C1x C    25.0948  -20.9779
            14  C1z C    23.9054  -18.8974
            15  C1y C    25.0948  -19.5971
            16  C1x C    25.1174  -16.8372
            17  C1y C    23.9166  -17.5173
            18  C1z C    26.3069  -17.5368
            19  C1y C    26.2905  -18.9244
            20  C1x C    27.6050  -19.3686
            21  C1z C    27.6315  -17.1237
            22  C1y C    28.4299  -18.2622
            23  O2x O    29.7597  -17.8548
            24  O2x O    28.4676  -16.0125
            25  C5a C    27.6184  -15.0416
            26  O5a O    28.8103  -14.3385
            27  C1b C    26.4137  -14.3611
            28  O7a O    25.2219  -15.0641
            29  C7a C    24.0172  -14.3835
            30  C1a C    22.8255  -15.0865
            31  O7a O    24.0044  -13.0000
            32  O1a O    22.7241  -16.8157
            33  C1a C    26.2977  -16.1528
            34  X   F    23.8937  -20.2758
            35  C1a C    22.6917  -18.2003
            36  O5x O    19.1108  -21.6602
BOND        41
            1     8  11 2
            2    10   9 1
            3     9   6 2
            4    18  19 1
            5    19  20 1
            6    20  22 1
            7    21  18 1
            8     4   5 1
            9     5   1 1
            10    1   2 1
            11   21  22 1
            12   22  23 1 #Down
            13   23   1 1
            14    1  24 1
            15   21  24 1 #Down
            16   10  11 1
            17   21  25 1 #Up
            18   11  12 1
            19   25  26 2
            20   12  13 1
            21   25  27 1
            22   13  15 1
            23   27  28 1
            24   14  10 1
            25   28  29 1
            26    2   3 1
            27   29  30 1
            28    3   4 1
            29   29  31 2
            30    6   7 1
            31   17  32 1 #Up
            32    7   8 1
            33   18  33 1 #Up
            34   14  15 1
            35   15  19 1
            36   18  16 1
            37   14  34 1 #Down
            38   16  17 1
            39   10  35 1 #Up
            40   17  14 1
            41    7  36 2


entry: D01388
name: --- - Iotroxic acid (JP15/USAN)
formula: C22H18I6N2O9
activity: Diagnostic aid [radiopaque medium]
remark: Therapeutic category: 7219
kcf:
ATOM        39
            1   C8y C    12.1803  -16.3875
            2   C8x C    12.1803  -17.7876
            3   C8y C    13.3958  -18.4877
            4   C8y C    14.6042  -17.7876
            5   C8y C    14.6042  -16.3875
            6   C8y C    13.3958  -15.6874
            7   X   I    10.9681  -15.6869
            8   X   I    15.8171  -15.6884
            9   X   I    13.3975  -19.8878
            10  C6a C    13.3975  -14.2873
            11  O6a O    14.6110  -13.5887
            12  O6a O    12.1858  -13.5857
            13  N1b N    15.8171  -18.4868
            14  C5a C    17.0292  -17.7859
            15  C1b C    18.2424  -18.4850
            16  O5a O    17.0282  -16.3858
            17  O2a O    19.4545  -17.7841
            18  C1b C    20.6674  -18.4833
            19  C1b C    21.8795  -17.7822
            20  O2a O    23.0926  -18.4814
            21  C1b C    24.3045  -17.7805
            22  C1b C    25.5177  -18.4795
            23  O2a O    26.7298  -17.7786
            24  C1b C    27.9429  -18.4778
            25  C5a C    29.1548  -17.7768
            26  N1b N    30.3679  -18.4760
            27  C8y C    31.5800  -17.7751
            28  O5a O    29.1538  -16.3766
            29  C8y C    32.7901  -18.4760
            30  C8x C    34.0022  -17.7751
            31  C8y C    34.0012  -16.3749
            32  C8y C    32.7880  -15.6757
            33  C8y C    31.5759  -16.3766
            34  C6a C    32.7870  -14.2756
            35  O6a O    33.9990  -13.5746
            36  X   I    32.7896  -19.8761
            37  X   I    35.2131  -15.6738
            38  X   I    30.3622  -15.6788
            39  O6a O    31.5739  -13.5763
BOND        40
            1     3   4 2
            2    19  20 1
            3     6  10 1
            4    20  21 1
            5     4   5 1
            6    21  22 1
            7    10  11 1
            8    22  23 1
            9     5   6 2
            10   23  24 1
            11   10  12 2
            12   24  25 1
            13    6   1 1
            14   25  26 1
            15    4  13 1
            16   26  27 1
            17   25  28 2
            18   13  14 1
            19    1   7 1
            20   14  15 1
            21    1   2 2
            22   14  16 2
            23   27  29 2
            24   29  30 1
            25   30  31 2
            26   31  32 1
            27   32  33 2
            28   33  27 1
            29    5   8 1
            30   32  34 1
            31   15  17 1
            32   34  35 2
            33    2   3 1
            34   29  36 1
            35   17  18 1
            36   31  37 1
            37    3   9 1
            38   33  38 1
            39   18  19 1
            40   34  39 1


entry: D01389
name: --- - Clofedanol hydrochloride (JP15) - Chlophedianol hydrochloride (USAN) - Coldrin (TN)
formula: C17H20ClNO. HCl
activity: Antitussive
remark: Therapeutic category: 2229
kcf:
ATOM        21
            1   C8x C    21.9935  -17.3587
            2   C8x C    21.9935  -18.7587
            3   C8x C    23.2088  -19.4587
            4   C8y C    24.4171  -18.7587
            5   C8y C    24.4171  -17.3587
            6   C8x C    23.2088  -16.6587
            7   C1d C    25.6301  -16.6596
            8   C8y C    26.8420  -17.3606
            9   C8x C    26.8355  -18.7586
            10  C8x C    28.0473  -19.4594
            11  C8x C    29.2603  -18.7604
            12  C8x C    29.2614  -17.3604
            13  C8x C    28.0493  -16.6594
            14  C1b C    25.6311  -15.2595
            15  C1b C    26.8442  -14.5605
            16  N1c N    26.7752  -13.1605
            17  C1a C    27.9882  -12.4613
            18  C1a C    25.5632  -12.4594
            19  X   Cl   25.6301  -19.4579
            20  O1a O    24.4177  -15.9596
            21  X   Cl   32.2603  -16.5173
BOND        21
            1     4   5 1
            2     5   6 2
            3     8   9 2
            4     9  10 1
            5    10  11 2
            6    11  12 1
            7    12  13 2
            8    13   8 1
            9     6   1 1
            10    7  14 1
            11    5   7 1
            12   14  15 1
            13   15  16 1
            14    7   8 1
            15   16  17 1
            16    1   2 2
            17   16  18 1
            18    2   3 1
            19    4  19 1
            20    3   4 2
            21    7  20 1


entry: D01390
formula: C11H17NO3. HCl
activity: Bronchodilator
remark: Therapeutic category: 1339 2119 2252
comment: Component of Isopal P (TN)
name:
--- 
- dl-Isoprenaline hydrochloride (JAN)
- Isoproterenol hydrochloride (USP)
- Isuprel (TN)
- Proternol-S (TN)

kcf:
ATOM        16
            1   C8y C    23.1940  -17.4397
            2   C8x C    23.1823  -16.0366
            3   C1c C    21.9773  -18.1440
            4   C8x C    24.3990  -18.1440
            5   C8y C    24.3990  -15.3439
            6   C1b C    20.7663  -17.4397
            7   O1a O    21.9773  -19.5412
            8   C8x C    25.6098  -17.4397
            9   C8y C    25.6098  -16.0366
            10  O1a O    24.3990  -13.9409
            11  N1b N    19.5496  -18.1440
            12  O1a O    26.8148  -15.3439
            13  C1c C    18.3388  -17.4397
            14  C1a C    17.1338  -18.1440
            15  C1a C    18.3388  -16.0366
            16  X   Cl   29.1528  -17.7547
BOND        15
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11    9  12 1
            12   11  13 1
            13   13  14 1
            14   13  15 1
            15    8   9 2


entry: D01391
formula: C6H11BrN2O2
remark: Same as: C12829 Therapeutic category: 1121
name:
--- 
- Bromovalerylurea (JP15)
- Bromisovalum
- Bromural (TN)
- Bromovalerylurea (TN)
- Brovarin (TN)

kcf:
ATOM        11
            1   C1a C    17.6022  -17.7619
            2   C1c C    18.8137  -17.0605
            3   C1c C    20.0252  -17.7548
            4   C5a C    21.2367  -17.0534
            5   N1b N    22.4482  -17.7478
            6   C5a C    23.6597  -17.0464
            7   N1a N    24.8713  -17.7407
            8   C1a C    18.8106  -15.6577
            9   X   Br   20.0283  -19.1576
            10  O5a O    21.2337  -15.6506
            11  O5a O    23.6567  -15.6436
BOND        10
            1     5   6 1
            2     1   2 1
            3     6   7 1
            4     3   4 1
            5     2   8 1
            6     3   9 1
            7     4   5 1
            8     4  10 2
            9     2   3 1
            10    6  11 2


entry: D01392
name: --- - Mizoribine (JAN) - Bredinin (TN)
formula: C9H13N3O6
remark: Therapeutic category: 3999
kcf:
ATOM        18
            1   C8y C    27.0954  -16.7119
            2   C8y C    27.1015  -15.3175
            3   N5x N    25.7773  -14.8806
            4   C8x C    24.9527  -16.0053
            5   N4y N    25.7672  -17.1371
            6   C1y C    25.3283  -18.4678
            7   C1y C    24.8921  -19.7998
            8   O2x O    24.1914  -17.6411
            9   C1y C    23.0547  -18.4678
            10  C1y C    23.4907  -19.7998
            11  C1b C    21.7213  -18.0367
            12  O1a O    20.6812  -18.9757
            13  O1a O    22.6683  -20.9343
            14  O1a O    25.7144  -20.9345
            15  C5a C    28.2389  -14.4990
            16  N1a N    29.5166  -15.0746
            17  O5a O    28.2388  -13.1046
            18  O1a O    28.2253  -17.5407
BOND        19
            1     6   8 1
            2     8   9 1
            3     9  10 1
            4    10   7 1
            5     5   1 1
            6     9  11 1 #Up
            7    11  12 1
            8     6   5 1 #Up
            9    10  13 1 #Down
            10    1   2 2
            11    7  14 1 #Down
            12    2   3 1
            13    2  15 1
            14    3   4 2
            15   15  16 1
            16    4   5 1
            17   15  17 2
            18    7   6 1
            19    1  18 1


entry: D01393
name: --- - Piperazine phosphate (JP15) - Pincets (TN)
formula: C4H10N2. H3PO4. H2O
remark: Therapeutic category: 6428
kcf:
ATOM        12
            1   C1x C    19.6786  -18.6334
            2   C1x C    19.6786  -20.0335
            3   N1x N    20.8952  -20.7372
            4   C1x C    22.1046  -20.0335
            5   C1x C    22.1046  -18.6334
            6   N1x N    20.8952  -17.9368
            7   O0  O    30.3354  -19.3456
            8   P1b P    25.3829  -19.2422
            9   O1c O    26.6948  -19.2541
            10  O1c O    24.1539  -19.2541
            11  O1c O    25.4420  -20.6730
            12  O3b O    25.4182  -17.6156
BOND        10
            1     4   5 1
            2     5   6 1
            3     6   1 1
            4     1   2 1
            5     2   3 1
            6     3   4 1
            7     8   9 1
            8     8  10 1
            9     8  11 1
            10    8  12 2


entry: D01394
name: --- - Epirizole (JP15/USAN) - Mebron (TN)
formula: C11H14N4O2
activity: Analgesic; Anti-inflammatory
remark: Therapeutic category: 1148
kcf:
ATOM        17
            1   C8y C    31.9294  -18.4472
            2   N5x N    31.9294  -17.0447
            3   C8y C    30.7109  -16.3400
            4   N5x N    29.4997  -17.0447
            5   C8y C    29.4997  -18.4472
            6   C8x C    30.7109  -19.1448
            7   C1a C    33.1445  -19.1454
            8   N4y N    30.7092  -14.9376
            9   O2a O    28.3001  -19.1377
            10  C1a C    27.0879  -18.4401
            11  N5x N    31.8677  -14.0941
            12  C8y C    31.4234  -12.7317
            13  C8x C    29.9905  -12.7332
            14  C8y C    29.5491  -14.0965
            15  C1a C    32.2435  -11.6006
            16  O2a O    28.1491  -14.0965
            17  C1a C    27.4352  -12.8603
BOND        18
            1     6   1 2
            2     9  10 1
            3     1   2 1
            4     1   7 1
            5     2   3 2
            6     3   8 1
            7     3   4 1
            8     4   5 2
            9     5   6 1
            10    5   9 1
            11    8  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    8  14 1
            16   12  15 1
            17   14  16 1
            18   16  17 1


entry: D01395
name: --- - Actarit (JAN) - Orcl (TN)
formula: C10H11NO3
remark: Therapeutic category: 1149
kcf:
ATOM        14
            1   C8y C    23.4028  -16.0921
            2   C8x C    24.6154  -16.7902
            3   C8x C    25.8299  -16.0950
            4   C8y C    25.8316  -14.6947
            5   C8x C    24.6188  -13.9898
            6   C8x C    23.4045  -14.6919
            7   N1b N    27.0410  -13.9840
            8   C5a C    28.2536  -14.6820
            9   C1a C    29.4593  -13.9769
            10  O5a O    28.3095  -16.0850
            11  C1b C    22.1900  -16.7830
            12  C6a C    20.9773  -16.0850
            13  O6a O    19.7646  -16.7761
            14  O6a O    20.9703  -14.6820
BOND        14
            1     7   8 1
            2     2   3 1
            3     8   9 1
            4     3   4 2
            5     4   5 1
            6     8  10 2
            7     5   6 2
            8     1  11 1
            9     6   1 1
            10   11  12 1
            11    4   7 1
            12   12  13 1
            13    1   2 2
            14   12  14 2


entry: D01397
name: --- - Ampiroxicam (JAN) - Flucam (TN)
formula: C20H21N3O7S
remark: Therapeutic category: 1149
kcf:
ATOM        31
            1   C8y C    27.9963  -14.0121
            2   N5x N    29.1858  -14.6984
            3   C8x C    30.3750  -14.0113
            4   C8x C    30.3745  -12.6380
            5   C8x C    29.1849  -11.9517
            6   C8x C    27.9959  -12.6388
            7   C8y C    22.0186  -14.7322
            8   C8y C    22.0186  -16.1207
            9   C8y C    23.2177  -14.0254
            10  C8x C    20.8133  -14.0445
            11  S2x S    23.2303  -16.8149
            12  C8x C    20.8133  -16.8211
            13  C8y C    24.4294  -14.7260
            14  O2a O    23.2115  -12.6560
            15  C8x C    19.6269  -14.7322
            16  N4y N    24.4420  -16.1269
            17  C8x C    19.6269  -16.1207
            18  C5a C    25.6157  -14.0318
            19  C1a C    25.6283  -16.8085
            20  O5a O    25.6094  -12.6624
            21  C1c C    22.0256  -11.9761
            22  O7a O    20.8437  -12.6549
            23  C7a C    19.6616  -11.9761
            24  O7a O    18.4798  -12.6549
            25  C1b C    17.2979  -11.9761
            26  C1a C    16.1158  -12.6549
            27  O7a O    19.6541  -10.6112
            28  C1a C    22.0250  -10.6132
            29  N1b N    26.8096  -14.7130
            30  O3c O    22.2404  -17.8048
            31  O3c O    24.2203  -17.8048
BOND        33
            1     7  10 1
            2     8  11 1
            3     8  12 1
            4     9  13 2
            5     9  14 1
            6    10  15 2
            7    11  16 1
            8    12  17 2
            9    13  18 1
            10   16  19 1
            11   18  20 2
            12   13  16 1
            13   15  17 1
            14    2   3 1
            15   14  21 1
            16    3   4 2
            17   21  22 1
            18    4   5 1
            19   22  23 1
            20    5   6 2
            21   23  24 1
            22    6   1 1
            23   24  25 1
            24   25  26 1
            25    1   2 2
            26   23  27 2
            27    7   8 2
            28   21  28 1
            29    7   9 1
            30   18  29 1
            31   29   1 1
            32   11  30 2
            33   11  31 2


entry: D01398
name: --- - Bismuth subgallate (JP15/USP) - Dermatol (TN)
formula: C7H5BiO6
remark: Therapeutic category: 2649
kcf:
ATOM        14
            1   C8x C    22.9984  -16.6396
            2   C8y C    23.0339  -18.0350
            3   C8y C    21.7686  -15.9713
            4   O6a O    25.4463  -17.9817
            5   C8x C    21.8396  -18.7682
            6   C6a C    24.2579  -18.7090
            7   C8y C    20.5802  -16.7045
            8   C8y C    20.6097  -18.0941
            9   O6a O    24.2815  -20.1458
            10  O2x O    19.2497  -16.3024
            11  O2x O    19.2971  -18.5494
            12  Z   Bi   18.4575  -17.4436
            13  O1a O    17.0432  -17.4736
            14  O1a O    21.7568  -14.5562
BOND        15
            1     1   3 1
            2     2   5 1
            3     2   6 1
            4     3   7 2
            5     5   8 2
            6     6   9 2
            7     7  10 1
            8     8  11 1
            9    10  12 1
            10    4   6 1
            11    7   8 1
            12   11  12 1
            13   12  13 1
            14    1   2 2
            15    3  14 1


entry: D01399
name: --- - Fentanyl citrate (JP15/USP) - Oralet (TN)
formula: C22H28N2O. C6H8O7
activity: Analgesic [narcotic]
remark: Therapeutic category: 8219
comment: Component of Innovar (TN)
kcf:
ATOM        38
            1   C1d C    39.8723  -15.9084
            2   C1b C    38.6652  -16.6023
            3   C1b C    41.0794  -16.5964
            4   C6a C    40.5604  -14.6954
            5   O1a O    39.1666  -14.6954
            6   C6a C    37.4638  -15.9142
            7   C6a C    41.0677  -17.9902
            8   O6a O    39.8547  -13.4825
            9   O6a O    41.9600  -14.6954
            10  O6a O    36.2569  -16.6140
            11  O6a O    37.4522  -14.5205
            12  O6a O    42.2749  -18.6900
            13  O6a O    39.8547  -18.6840
            14  N1c N    25.4800  -15.0500
            15  C1y C    26.7400  -15.7500
            16  C8y C    24.2900  -15.7500
            17  C5a C    25.4800  -13.6500
            18  C1x C    26.7400  -17.1500
            19  C1x C    27.9300  -15.0500
            20  C8x C    23.1000  -15.0500
            21  C8x C    24.2900  -17.1500
            22  C1b C    26.7400  -12.9500
            23  O5a O    24.2900  -12.9500
            24  C1x C    27.9300  -17.8500
            25  C1x C    29.1200  -15.7500
            26  C8x C    21.8400  -15.7500
            27  C8x C    23.0300  -17.8500
            28  C1a C    27.9300  -13.6500
            29  N1y N    29.1200  -17.1500
            30  C8x C    21.8400  -17.0800
            31  C1b C    30.3800  -17.8500
            32  C1b C    31.5700  -17.1500
            33  C8y C    32.7600  -17.8500
            34  C8x C    32.7600  -19.2500
            35  C8x C    34.0200  -17.1500
            36  C8x C    34.0200  -19.9500
            37  C8x C    35.2100  -17.8500
            38  C8x C    35.2100  -19.2500
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13   14  15 1
            14   14  16 1
            15   14  17 1
            16   15  18 1
            17   15  19 1
            18   16  20 2
            19   16  21 1
            20   17  22 1
            21   17  23 2
            22   18  24 1
            23   19  25 1
            24   20  26 1
            25   21  27 2
            26   22  28 1
            27   24  29 1
            28   26  30 2
            29   29  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   33  35 2
            34   34  36 2
            35   35  37 1
            36   36  38 1
            37   25  29 1
            38   27  30 1
            39   37  38 2


entry: D01400
formula: C8H8O3
activity: Pharmaceutic aid [antifungal agent]
remark: Therapeutic category: 7311
comment: Component of Absorptive ointment [DR:D05354]
name:
--- 
- Methyl parahydroxybenzoate (JP15)
- Methylparaben (NF)
- Methyl parahydroxybenzoate (TN)
- Methylparaben (TN)

kcf:
ATOM        11
            1   C8y C    26.2666  -17.9873
            2   C7a C    26.2603  -16.5903
            3   C8x C    25.0555  -18.6859
            4   C8x C    27.4906  -18.6859
            5   O7a O    25.0555  -15.8981
            6   O7a O    27.4649  -15.8918
            7   C8x C    25.0555  -20.0892
            8   C8x C    27.4906  -20.0892
            9   C8y C    26.2666  -20.8069
            10  O1a O    26.2603  -22.1976
            11  C1a C    23.8536  -16.5954
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     4   8 1
            8     7   9 1
            9     9  10 1
            10    8   9 2
            11    5  11 1


entry: D01401
name: --- - Cefpirome sulfate (JP15/USAN) - Cefrom (TN) - CPR
formula: C21H21N7O5S2. H2SO4
activity: Antibacterial
remark: Same as: C12847 Therapeutic category: 6132 7290
comment: semisynthetic cephalosporin: broad spectrum cephalosporin
kcf:
ATOM        40
            1   S4a S    36.2959  -18.2284
            2   O3c O    36.2959  -16.8168
            3   O1d O    34.8944  -18.2148
            4   O1d O    37.6969  -18.2217
            5   O3c O    36.3585  -19.6230
            6   C1y C    26.3500  -15.1670
            7   N1y N    26.3500  -16.5657
            8   C2y C    27.5387  -17.2650
            9   C2y C    28.7277  -16.5657
            10  C1x C    28.7277  -15.1670
            11  S2x S    27.5387  -14.4677
            12  C1y C    24.9512  -15.1670
            13  C5x C    24.9512  -16.5657
            14  N1b N    23.6924  -14.4677
            15  C5a C    22.5037  -15.1670
            16  O5a O    22.5037  -16.5657
            17  O5x O    23.6924  -17.2650
            18  C2c C    21.3147  -14.4677
            19  C1b C    29.9865  -17.2650
            20  C8y C    20.0559  -15.1670
            21  N5y N    31.1754  -16.5657 #+
            22  N5x N    19.0069  -14.3277
            23  S2x S    17.8181  -15.0971
            24  C8y C    18.2377  -16.4957
            25  N5x N    19.6362  -16.4957
            26  N2b N    21.3147  -13.0689
            27  O2a O    20.1258  -12.3696
            28  C1a C    18.9369  -12.9989
            29  C6a C    27.5387  -18.6637
            30  O0  O    28.7277  -19.3631 #-
            31  O6a O    26.2800  -19.3631
            32  N1a N    17.3985  -17.6146
            33  C8x C    32.3907  -17.2674
            34  C8x C    33.6061  -16.5657
            35  C8x C    33.6061  -15.1623
            36  C8y C    32.3907  -14.4606
            37  C8y C    31.1754  -15.1623
            38  C1x C    32.0989  -13.0880
            39  C1x C    30.7033  -12.9413
            40  C1x C    30.1325  -14.2233
BOND        43
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     6   7 1
            6     7   8 1
            7     8   9 2
            8     9  10 1
            9    10  11 1
            10    6  11 1
            11    6  12 1
            12   12  13 1
            13    7  13 1
            14   12  14 1 #Up
            15   14  15 1
            16   15  16 2
            17   13  17 2
            18   15  18 1
            19    9  19 1
            20   18  20 1
            21   19  21 1
            22   20  22 2
            23   22  23 1
            24   23  24 1
            25   24  25 2
            26   20  25 1
            27   18  26 2
            28   26  27 1
            29   27  28 1
            30    8  29 1
            31   29  30 1
            32   29  31 2
            33   24  32 1
            34   21  33 2
            35   33  34 1
            36   34  35 2
            37   35  36 1
            38   36  37 2
            39   21  37 1
            40   36  38 1
            41   38  39 1
            42   39  40 1
            43   37  40 1


entry: D01402
name: --- - Betamethasone acetate (JAN/USP)
formula: C24H31FO6
activity: Glucocorticoid
remark: Therapeutic category: 2454
comment: Component of Rinderon (TN), Celestone soluspan (TN)
kcf:
ATOM        31
            1   C2x C    23.2592  -19.7410
            2   C5x C    23.2592  -21.1017
            3   C2x C    24.4375  -21.7820
            4   C2y C    25.6159  -21.1017
            5   C1z C    25.6159  -19.7410
            6   C2x C    24.4375  -19.0607
            7   C1x C    26.7943  -21.7820
            8   C1x C    27.9726  -21.1017
            9   C1y C    27.9726  -19.7410
            10  C1z C    26.7943  -19.0607
            11  C1y C    29.1510  -19.0607
            12  C1z C    29.1510  -17.7000
            13  C1x C    27.9726  -17.0197
            14  C1y C    26.7943  -17.7000
            15  C1x C    31.5077  -19.0607
            16  C1y C    31.5077  -17.7000
            17  C1z C    30.3294  -17.0197
            18  C1a C    25.6159  -18.3803
            19  O1a O    25.6179  -17.0209
            20  C1a C    29.1510  -16.3394
            21  C1a C    32.6736  -17.0268
            22  C5a C    30.3294  -15.3189
            23  X   F    26.7943  -20.4213
            24  O1a O    31.5077  -16.1294
            25  O5x O    22.0809  -21.7820
            26  O5a O    31.5117  -14.6363
            27  C1b C    29.1549  -14.6408
            28  O7a O    27.9950  -15.3107
            29  C7a C    26.7945  -14.6180
            30  C1a C    25.5888  -15.3147
            31  O7a O    26.7943  -13.2301
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    5  18 1 #Up
            22   14  19 1 #Up
            23   12  20 1 #Up
            24   16  21 1 #Up
            25   17  22 1 #Up
            26   10  23 1 #Down
            27   17  24 1 #Down
            28    2  25 2
            29   22  26 2
            30   22  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   29  31 2


entry: D01404
name: --- - Sobuzoxane (JAN) - Perazolin (TN)
formula: C22H34N4O10
remark: Therapeutic category: 4291
kcf:
ATOM        36
            1   N1y N    25.1657  -18.4716
            2   C1x C    23.9502  -17.7720
            3   C5x C    22.7365  -18.4748
            4   N1y N    22.7383  -19.8773
            5   C5x C    23.9539  -20.5769
            6   C1x C    25.1676  -19.8741
            7   C5x C    30.0347  -15.7156
            8   C1x C    28.7422  -16.4081
            9   N1y N    28.8042  -17.8141
            10  C1x C    30.0187  -18.5274
            11  C5x C    31.2412  -17.8278
            12  N1y N    31.2492  -16.4220
            13  C1b C    32.4587  -15.7156
            14  O7a O    33.6740  -16.4081
            15  C7a C    34.8825  -15.7084
            16  O7a O    36.0980  -16.4009
            17  C1b C    37.3136  -15.7013
            18  O7a O    34.8755  -14.3021
            19  C1c C    38.5332  -16.3996
            20  C1a C    39.7511  -15.6984
            21  C1a C    38.5220  -17.7932
            22  O5x O    30.0276  -14.3163
            23  C1b C    27.5826  -18.4928
            24  C1b C    26.3811  -17.7861
            25  C1b C    21.5263  -20.5705
            26  O7a O    20.3179  -19.8778
            27  C7a C    19.1094  -20.5774
            28  O7a O    17.9010  -19.8849
            29  C1b C    16.6926  -20.5845
            30  C1c C    15.4842  -19.8921
            31  O7a O    19.1025  -21.9767
            32  C1a C    15.4772  -18.4928
            33  C1a C    14.2754  -20.5966
            34  O5x O    21.5193  -17.7720
            35  O5x O    23.9430  -21.9697
            36  O5x O    32.4444  -18.5210
BOND        37
            1    11  12 1
            2    15  18 2
            3    12   7 1
            4    17  19 1
            5    19  20 1
            6    19  21 1
            7     1   2 1
            8     7  22 2
            9     2   3 1
            10    9  23 1
            11    3   4 1
            12   23  24 1
            13   24   1 1
            14    4   5 1
            15    4  25 1
            16    5   6 1
            17   25  26 1
            18    6   1 1
            19   26  27 1
            20   12  13 1
            21   27  28 1
            22    7   8 1
            23   28  29 1
            24   13  14 1
            25   29  30 1
            26    8   9 1
            27   27  31 2
            28   14  15 1
            29   30  32 1
            30    9  10 1
            31   30  33 1
            32   15  16 1
            33    3  34 2
            34   10  11 1
            35    5  35 2
            36   16  17 1
            37   11  36 2


entry: D01405
name: --- - Norfenefrine hydrochloride (JAN) - Zondel (TN)
formula: C8H12NO2. Cl
remark: Therapeutic category: 2160
kcf:
ATOM        12
            1   C8y C    24.6402  -17.6916
            2   C1c C    23.4300  -18.4015
            3   C8x C    24.6402  -16.2952
            4   C8x C    25.8504  -18.3958
            5   C1b C    22.2139  -17.6916
            6   O1a O    23.4300  -19.7980
            7   C8y C    25.8504  -15.5969
            8   C8x C    27.0608  -17.6916
            9   N1a N    20.9978  -18.4015 #+
            10  C8x C    27.0608  -16.2952
            11  O1a O    25.8504  -14.2006
            12  X   Cl   29.2077  -18.5063 #-
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     7  10 2
            10    7  11 1
            11    8  10 1


entry: D01406
name: --- - Tocopherol calcium succinate (JP15) - Vitamin-E (TN)
formula: (C33H53O5)2. Ca
activity: Vitamin E supplement
remark: Therapeutic category: 3150
kcf:
ATOM        77
            1   C8y C    12.6445  -19.3217
            2   C8y C    12.6445  -18.5527
            3   O2x O    13.3411  -19.7286
            4   C8y C    11.9859  -19.7286
            5   C1x C    13.3411  -18.1492
            6   C8y C    11.9859  -18.1492
            7   C1z C    14.0031  -19.3217
            8   C8y C    11.2893  -19.3217
            9   C1a C    11.9859  -20.5113
            10  C1x C    14.0031  -18.5527
            11  C8y C    11.2893  -18.5527
            12  C1a C    11.9859  -17.3665
            13  C1b C    14.7066  -19.7286
            14  C1a C    14.0031  -20.0941
            15  C1a C    10.5962  -19.7286
            16  O7a O    10.5962  -18.1492
            17  C1b C    15.3755  -19.3699
            18  C1b C    16.0617  -19.7699
            19  C1c C    16.7583  -19.4113
            20  C1b C    17.4376  -19.8182
            21  C1a C    16.7824  -18.6492
            22  C1b C    18.1273  -19.4113
            23  C1b C    18.7928  -19.8182
            24  C1c C    19.4893  -19.4320
            25  C1b C    20.1617  -19.8561
            26  C1a C    19.4893  -18.6734
            27  C1b C    20.8445  -19.4734
            28  C1b C    21.5100  -19.8941
            29  C1c C    22.1997  -19.4734
            30  C1a C    22.1997  -18.7148
            31  C1a C    22.8721  -19.8941
            32  C7a C    10.5992  -17.3242
            33  C1b C     9.8862  -16.9092
            34  O7a O    11.3152  -16.9143
            35  C1b C     9.1703  -17.3191
            36  C6a C     8.4573  -16.9040
            37  O0  O     7.7413  -17.3139 #-
            38  O6a O     8.4603  -16.0790
            39  Z   Ca   24.8042  -18.6833 #2+
            40  C8y C    12.6445  -19.3217
            41  C8y C    12.6445  -18.5527
            42  O2x O    13.3411  -19.7286
            43  C8y C    11.9859  -19.7286
            44  C1x C    13.3411  -18.1492
            45  C8y C    11.9859  -18.1492
            46  C1z C    14.0031  -19.3217
            47  C8y C    11.2893  -19.3217
            48  C1a C    11.9859  -20.5113
            49  C1x C    14.0031  -18.5527
            50  C8y C    11.2893  -18.5527
            51  C1a C    11.9859  -17.3665
            52  C1b C    14.7066  -19.7286
            53  C1a C    14.0031  -20.0941
            54  C1a C    10.5962  -19.7286
            55  O7a O    10.5962  -18.1492
            56  C1b C    15.3755  -19.3699
            57  C1b C    16.0617  -19.7699
            58  C1c C    16.7583  -19.4113
            59  C1b C    17.4376  -19.8182
            60  C1a C    16.7824  -18.6492
            61  C1b C    18.1273  -19.4113
            62  C1b C    18.7928  -19.8182
            63  C1c C    19.4893  -19.4320
            64  C1b C    20.1617  -19.8561
            65  C1a C    19.4893  -18.6734
            66  C1b C    20.8445  -19.4734
            67  C1b C    21.5100  -19.8941
            68  C1c C    22.1997  -19.4734
            69  C1a C    22.1997  -18.7148
            70  C1a C    22.8721  -19.8941
            71  C7a C    10.5992  -17.3242
            72  C1b C     9.8862  -16.9092
            73  O7a O    11.3152  -16.9143
            74  C1b C     9.1703  -17.3191
            75  C6a C     8.4573  -16.9040
            76  O0  O     7.7413  -17.3139 #-
            77  O6a O     8.4603  -16.0790
BOND        78
            1    33  35 1
            2     1   3 1
            3    35  36 1
            4     1   4 2
            5    36  37 1
            6     2   5 1
            7    36  38 2
            8     2   6 2
            9     3   7 1
            10    4   8 1
            11    4   9 1
            12    5  10 1
            13    6  11 1
            14    6  12 1
            15    7  13 1 #Up
            16    7  14 1
            17    8  15 1
            18   11  16 1
            19   13  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 1 #Down
            24   20  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   24  26 1 #Down
            29   25  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   29  31 1
            34    7  10 1
            35    8  11 2
            36   16  32 1
            37   32  33 1
            38   32  34 2
            39    1   2 1
            40   75  76 1
            41   41  44 1
            42   75  77 2
            43   41  45 2
            44   42  46 1
            45   43  47 1
            46   43  48 1
            47   44  49 1
            48   45  50 1
            49   45  51 1
            50   46  52 1 #Up
            51   46  53 1
            52   47  54 1
            53   50  55 1
            54   52  56 1
            55   56  57 1
            56   57  58 1
            57   58  59 1
            58   58  60 1 #Down
            59   59  61 1
            60   61  62 1
            61   62  63 1
            62   63  64 1
            63   63  65 1 #Down
            64   64  66 1
            65   66  67 1
            66   67  68 1
            67   68  69 1
            68   68  70 1
            69   46  49 1
            70   47  50 2
            71   55  71 1
            72   71  72 1
            73   71  73 2
            74   40  41 1
            75   72  74 1
            76   40  42 1
            77   74  75 1
            78   40  43 2


entry: D01408
name: --- - Flurazepam hydrochloride (JP15) - Flurazepam monohydrochloride - Dalmate (TN)
formula: C21H23ClFN3O. HCl
remark: Therapeutic category: 1124
kcf:
ATOM        28
            1   X   Cl   36.6766  -12.5550
            2   C2y C    31.7800  -13.0200
            3   C8y C    30.9400  -11.9000
            4   C8y C    31.2900  -10.5000
            5   N1y N    32.5500   -9.9400
            6   N2x N    33.2500  -13.0200
            7   C5x C    33.8100  -10.5700
            8   C1x C    34.0900  -11.9700
            9   C8x C    30.3100   -9.5200
            10  C8x C    28.9800   -9.9400
            11  C8y C    28.6300  -11.2700
            12  C8x C    29.6100  -12.2500
            13  O5x O    34.8600   -9.6600
            14  X   Cl   27.2300  -11.6900
            15  C8y C    31.1500  -14.2800
            16  C8x C    29.7500  -14.2800
            17  C8x C    29.0500  -15.4700
            18  C8x C    29.7500  -16.6600
            19  C8x C    31.1500  -16.6600
            20  C8y C    31.8500  -15.4700
            21  X   F    33.3200  -15.4700
            22  C1b C    32.5500   -8.5400
            23  C1b C    33.7400   -7.9100
            24  N1c N    33.7400   -6.4400
            25  C1b C    35.0000   -5.7400
            26  C1b C    32.5500   -5.7400
            27  C1a C    31.3600   -6.4400
            28  C1a C    36.1900   -6.4400
BOND        29
            1     4   5 1
            2     2   6 2
            3     5   7 1
            4     3   4 1
            5     6   8 1
            6     2   3 1
            7     7   8 1
            8     4   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12    3  12 2
            13    7  13 2
            14   11  14 1
            15    2  15 1
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   15  20 2
            22   20  21 1
            23    5  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   24  26 1
            28   26  27 1
            29   25  28 1


entry: D01409
name: --- - Acetylpheneturide (JAN) - Crampol (TN)
formula: C13H16N2O3
remark: Therapeutic category: 1131
kcf:
ATOM        18
            1   C8x C    19.1215  -17.4454
            2   C8x C    19.1215  -18.8461
            3   C8x C    20.3375  -19.5465
            4   C8y C    21.5463  -18.8461
            5   C8x C    21.5463  -17.4454
            6   C8x C    20.3375  -16.7451
            7   C1c C    22.7599  -19.5456
            8   C5a C    23.9673  -18.8390
            9   N1b N    25.1771  -19.5393
            10  C5a C    26.3868  -18.8390
            11  N1b N    27.5965  -19.5393
            12  C1b C    22.7645  -20.9463
            13  C1a C    23.9797  -21.6426
            14  O5a O    23.9641  -17.4383
            15  O5a O    26.3868  -17.4383
            16  C5a C    28.8104  -18.8403
            17  C1a C    30.0227  -19.5422
            18  O5a O    28.8121  -17.4397
BOND        18
            1     2   3 1
            2     8   9 1
            3     3   4 2
            4     9  10 1
            5     4   5 1
            6    10  11 1
            7     5   6 2
            8     7  12 1
            9     6   1 1
            10   12  13 1
            11    8  14 2
            12    4   7 1
            13   10  15 2
            14   11  16 1
            15    1   2 2
            16   16  17 1
            17    7   8 1
            18   16  18 2


entry: D01410
name: --- - Benzydamine hydrochloride (JAN/USAN) - Tantum (TN)
formula: C19H23N3O. HCl
activity: Analgesic; Antipyretic; Anti-inflammatory
remark: Therapeutic category: 1142
kcf:
ATOM        24
            1   X   Cl   33.1118  -17.5903
            2   C8x C    22.8597  -19.7214
            3   C8x C    21.6482  -19.0196
            4   C8x C    21.6482  -17.6158
            5   C8x C    22.8597  -16.9140
            6   C8y C    24.0784  -19.0196
            7   C8y C    24.0816  -17.6153
            8   N4y N    25.4181  -17.1845
            9   N5x N    26.2406  -18.3225
            10  C8y C    25.4129  -19.4565
            11  C1b C    26.2421  -16.0479
            12  C8y C    27.6457  -16.0479
            13  C8x C    28.3477  -17.2632
            14  C8x C    29.7513  -17.2632
            15  C8x C    30.4530  -16.0475
            16  C8x C    29.7511  -14.8321
            17  C8x C    28.3474  -14.8321
            18  O2a O    25.4129  -20.8603
            19  C1b C    26.6181  -21.5561
            20  C1b C    27.8273  -20.8578
            21  C1b C    29.0128  -21.5421
            22  N1c N    30.2098  -20.8507
            23  C1a C    31.4013  -21.5385
            24  C1a C    30.2097  -19.4387
BOND        25
            1     6   2 1
            2     2   3 2
            3    11   8 1
            4     3   4 1
            5     4   5 2
            6     6   7 2
            7    11  12 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10   6 1
            12    5   7 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  12 1
            19   10  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   22  24 1


entry: D01411
name: --- - Lefetamine hydrochloride (JAN)
formula: C16H20N. Cl
remark: Therapeutic category: 1149
kcf:
ATOM        18
            1   X   Cl   30.5175  -18.6281 #-
            2   C8y C    23.2788  -18.0076
            3   C1b C    24.4913  -17.3022
            4   C8x C    23.2788  -19.4068
            5   C8x C    22.0660  -17.3022
            6   C1c C    25.6982  -18.0018
            7   C8x C    22.0660  -20.1065
            8   C8x C    20.8476  -18.0076
            9   N1c N    26.9109  -17.3022 #+
            10  C8y C    25.7041  -19.3951
            11  C8x C    20.8476  -19.4068
            12  C1a C    28.1177  -18.2059
            13  C1a C    26.9049  -15.9030
            14  C8x C    24.4927  -20.1014
            15  C8x C    24.4986  -21.5011
            16  C8x C    25.7138  -22.1958
            17  C8x C    26.9251  -21.4896
            18  C8x C    26.9192  -20.0899
BOND        18
            1     3   6 1
            2     4   7 2
            3     5   8 1
            4     6   9 1
            5     6  10 1 #Up
            6     7  11 1
            7     9  12 1
            8     9  13 1
            9     8  11 2
            10    2   3 1
            11    2   4 1
            12    2   5 2
            13   10  14 2
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 2
            18   10  18 1


entry: D01412
name: --- - Perazine maleate (JAN)
formula: C20H25N3S. (C4H4O4)2
remark: Therapeutic category: 1172
kcf:
ATOM        40
            1   N1y N    15.2413  -17.9850
            2   C8y C    14.0336  -18.7025
            3   C8y C    16.4489  -18.6967
            4   C1b C    15.2937  -16.5848
            5   C8y C    14.0279  -20.1027
            6   C8x C    12.8202  -17.9966
            7   C8y C    16.4430  -20.1027
            8   C8x C    17.6566  -17.9966
            9   C1b C    16.5072  -15.8788
            10  S2x S    15.2413  -20.7911
            11  C8x C    12.8202  -20.7911
            12  C8x C    11.6067  -18.6967
            13  C8x C    17.6449  -20.7968
            14  C8x C    18.8699  -18.7082
            15  C1b C    16.5013  -14.4729
            16  C8x C    11.6126  -20.1027
            17  C8x C    18.9342  -20.1084
            18  N1y N    17.7090  -13.7611
            19  C1x C    18.9283  -14.4669
            20  C1x C    17.6973  -12.3609
            21  C1x C    20.1359  -13.7611
            22  C1x C    18.9166  -11.6608
            23  N1y N    20.1359  -12.3552
            24  C1a C    21.3436  -11.6492
            25  C2b C    29.2455  -16.5100
            26  C2b C    27.6121  -16.5158
            27  C6a C    29.9223  -17.6884
            28  C6a C    26.9411  -17.7001
            29  O6a O    29.2513  -18.8610
            30  O6a O    31.2874  -17.7410
            31  O6a O    25.5759  -17.7001
            32  O6a O    27.6236  -18.8727
            33  C2b C    29.2455  -16.5100
            34  C2b C    27.6121  -16.5158
            35  C6a C    26.9411  -17.7001
            36  O6a O    25.5759  -17.7001
            37  O6a O    27.6236  -18.8727
            38  C6a C    29.9223  -17.6884
            39  O6a O    29.2513  -18.8610
            40  O6a O    31.2874  -17.7410
BOND        41
            1    20  22 1
            2    21  23 1
            3    23  24 1
            4     7  10 1
            5    12  16 1
            6    14  17 1
            7    22  23 1
            8     1   2 1
            9     1   3 1
            10    1   4 1
            11    2   5 2
            12    2   6 1
            13    3   7 2
            14    3   8 1
            15    4   9 1
            16    5  10 1
            17    5  11 1
            18    6  12 2
            19    7  13 1
            20    8  14 2
            21    9  15 1
            22   11  16 2
            23   13  17 2
            24   15  18 1
            25   18  19 1
            26   18  20 1
            27   19  21 1
            28   25  26 2
            29   25  27 1
            30   26  28 1
            31   27  29 1
            32   27  30 2
            33   28  31 1
            34   28  32 2
            35   33  34 2
            36   33  38 1
            37   34  35 1
            38   38  39 1
            39   38  40 2
            40   35  36 1
            41   35  37 2


entry: D01413
name: --- - Estradiol valerate (JAN/USP) - Deladumone (TN)
formula: C23H32O3
activity: Estrogen
remark: Same as: C12859 Therapeutic category: 2473
comment: Component of Primodian (TN)
kcf:
ATOM        26
            1   C8x C    24.0360  -17.3786
            2   C8y C    24.0360  -18.7802
            3   C8x C    25.2497  -19.4809
            4   C8y C    26.4633  -18.7802
            5   C8y C    26.4633  -17.3786
            6   C8x C    25.2497  -16.6780
            7   C1x C    27.6770  -19.4809
            8   C1x C    28.8908  -18.7802
            9   C1y C    28.8908  -17.3786
            10  C1y C    27.6770  -16.6780
            11  C1y C    30.1046  -16.6780
            12  C1z C    30.1046  -15.2764
            13  C1x C    28.8908  -14.5757
            14  C1x C    27.6770  -15.2764
            15  C1x C    31.4375  -17.1110
            16  C1x C    32.2613  -15.9773
            17  C1y C    31.4375  -14.8433
            18  O1a O    22.8223  -19.4809
            19  C1a C    30.1046  -13.8749
            20  O7a O    31.4375  -13.4418
            21  C7a C    32.6646  -12.7331
            22  C1b C    33.8790  -13.4338
            23  C1b C    35.0586  -12.7525
            24  C1b C    36.2560  -13.4437
            25  O7a O    32.6642  -11.3517
            26  C1a C    37.4821  -12.7357
BOND        29
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 1
            22   12  19 1 #Up
            23   17  20 1 #Up
            24   20  21 1
            25   21  25 2
            26   24  26 1
            27   21  22 1
            28   22  23 1
            29   23  24 1


entry: D01414
name: --- - Ethylnandrol (JAN) - Ethylestrenol (USAN) - Orabolin (TN)
formula: C20H32O
activity: Anabolic
remark: Therapeutic category: 2449
kcf:
ATOM        21
            1   C1y C    22.9631  -17.3408
            2   C1z C    22.9692  -15.9671
            3   C1y C    21.7743  -18.0307
            4   C1x C    25.3408  -17.3469
            5   C1z C    24.1580  -15.2772
            6   C1x C    21.7680  -15.2834
            7   C1a C    22.9199  -14.4456
            8   C1y C    20.5915  -17.3531
            9   C1x C    21.7866  -19.3982
            10  C1x C    25.3471  -15.9733
            11  C1b C    25.3101  -14.5996
            12  O1a O    24.1520  -13.9404
            13  C1x C    20.5792  -15.9794
            14  C1y C    19.4150  -18.0370
            15  C1x C    20.6038  -20.0758
            16  C2y C    19.4150  -19.3921
            17  C1x C    18.2445  -17.3715
            18  C2x C    18.2445  -20.0758
            19  C1x C    17.0803  -18.0370
            20  C1x C    17.0803  -19.3921
            21  C1a C    26.4729  -15.2586
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1 #Down
            11    5  12 1 #Up
            12    6  13 1
            13    8  14 1
            14    9  15 1
            15   14  16 1
            16   14  17 1
            17   16  18 2
            18   17  19 1
            19   18  20 1
            20    5  10 1
            21    8  13 1
            22   15  16 1
            23   19  20 1
            24   11  21 1


entry: D01415
name: --- - Cefotiam hexetil hydrochloride (JP15) - Pansporin-T (TN) - CTM-HE
formula: C27H37N9O7S3. 2HCl
remark: Therapeutic category: 6132
comment: semisynthetic cephalosporin: intermediate spectrum cephalosporin
kcf:
ATOM        48
            1   C1y C    26.1992  -13.1725
            2   N1y N    26.1992  -14.5495
            3   C2y C    27.3919  -15.2378
            4   C2y C    28.5843  -14.5495
            5   C1x C    28.5843  -13.1725
            6   S2x S    27.3919  -12.4840
            7   C1y C    24.8221  -13.1725
            8   C5x C    24.8221  -14.5495
            9   N1b N    23.6297  -12.4840
            10  C5a C    22.4369  -13.1725
            11  O5a O    22.4369  -14.5495
            12  O5x O    23.6297  -15.2378
            13  C1b C    21.2445  -12.4840
            14  C1b C    29.7951  -15.2488
            15  C8y C    20.0327  -13.1840
            16  S2a S    30.9926  -14.5578
            17  C8y C    32.1849  -15.2464
            18  N5x N    32.5850  -16.6308
            19  N5x N    33.9627  -16.6606
            20  N5x N    34.4167  -15.2906
            21  N4y N    33.3196  -14.4567
            22  C8x C    18.8966  -12.3839
            23  S2x S    17.7800  -13.2176
            24  C8y C    18.2276  -14.5369
            25  N5x N    19.6209  -14.5889
            26  C1b C    33.3507  -13.0409
            27  C1b C    34.5451  -12.3066
            28  N1c N    35.7526  -12.9597
            29  C1a C    36.9049  -12.2509
            30  C1a C    35.7924  -14.3526
            31  N1a N    17.3885  -15.6630
            32  C7a C    27.3919  -17.4647
            33  O7a O    26.1934  -18.1567
            34  O7a O    28.5974  -18.1608
            35  C1c C    28.5974  -19.5488
            36  C1a C    27.3806  -20.2515
            37  O7a O    29.7827  -20.2333
            38  C7a C    30.9616  -19.5525
            39  O7a O    32.1418  -20.2341
            40  C1y C    33.3213  -19.5530
            41  O7a O    30.9617  -18.1589
            42  C1x C    34.5013  -20.2343
            43  C1x C    35.7033  -19.5403
            44  C1x C    35.7034  -18.1523
            45  C1x C    34.5234  -17.4711
            46  C1x C    33.3214  -18.1650
            47  X   Cl   20.8705  -19.0297
            48  X   Cl   20.8705  -19.0297
BOND        50
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15    4  14 1
            16   13  15 1
            17   14  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   17  21 1
            24   15  22 2
            25   22  23 1
            26   23  24 1
            27   24  25 2
            28   15  25 1
            29   21  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   28  30 1
            34   24  31 1
            35    3  32 1
            36   32  33 2
            37   32  34 1
            38   34  35 1
            39   35  36 1
            40   35  37 1
            41   37  38 1
            42   38  39 1
            43   39  40 1
            44   38  41 2
            45   40  42 1
            46   42  43 1
            47   43  44 1
            48   44  45 1
            49   45  46 1
            50   40  46 1


entry: D01416
name: --- - Nedaplatin (JAN) - Aqupla (TN)
formula: C2H6N2O3Pt
remark: Same as: C12862 Therapeutic category: 4291
kcf:
ATOM        8
            1   O2x O    25.8471  -18.1180
            2   Z   Pt   26.2829  -16.7873
            3   O7x O    25.1470  -15.9613
            4   C7x C    24.0113  -16.7873
            5   C1x C    24.4470  -18.1180
            6   N1a N    27.4877  -15.7943
            7   N1a N    27.4877  -17.7616
            8   O7x O    22.6792  -16.3564
BOND        8
            1     3   4 1
            2     4   5 1
            3     5   1 1
            4     2   6 1
            5     1   2 1
            6     2   7 1
            7     2   3 1
            8     4   8 2


entry: D01417
name: --- - Meprylcaine hydrochloride (JAN) - Oracaine (TN)
formula: C14H21NO2. HCl
remark: Therapeutic category: 2213
kcf:
ATOM        18
            1   X   Cl   33.2102  -20.7312
            2   C8x C    19.4509  -19.7749
            3   C8x C    18.2295  -19.0829
            4   C8x C    18.2215  -17.6783
            5   C8x C    19.4350  -16.9655
            6   C8x C    20.6493  -17.6646
            7   C8y C    20.6573  -19.0692
            8   C7a C    21.8651  -19.7678
            9   O7a O    23.0725  -19.0688
            10  C1b C    24.2868  -19.7606
            11  C1d C    25.4939  -19.0617
            12  N1b N    26.7082  -19.7537
            13  C1b C    27.9154  -19.0548
            14  C1b C    29.1226  -19.7466
            15  O7a O    21.8582  -21.1725
            16  C1a C    30.3378  -19.0438
            17  C1a C    24.8536  -17.8122
            18  C1a C    26.2451  -17.8786
BOND        17
            1    12  13 1
            2     6   7 2
            3    13  14 1
            4     7   2 1
            5     8  15 2
            6     7   8 1
            7     8   9 1
            8     2   3 2
            9     9  10 1
            10    3   4 1
            11   10  11 1
            12    4   5 2
            13   11  12 1
            14   14  16 1
            15   11  17 1
            16    5   6 1
            17   11  18 1


entry: D01419
name: --- - Benzyl nicotinate (JAN) - Nicotinic acid benzyl ester
formula: C13H11NO2
remark: Same as: C12865 Therapeutic category: 2649
kcf:
ATOM        16
            1   N5x N    22.5153  -18.2390
            2   C8x C    22.5153  -19.6428
            3   C8x C    23.7339  -20.3447
            4   C8x C    24.9454  -19.6428
            5   C8y C    24.9454  -18.2390
            6   C8x C    23.7339  -17.5371
            7   C7a C    26.1523  -17.5371
            8   O7a O    27.3647  -18.2320
            9   C1b C    28.5771  -17.5301
            10  C8y C    29.7894  -18.2249
            11  C8x C    29.7938  -19.6222
            12  C8x C    31.0062  -20.3169
            13  C8x C    32.2141  -19.6145
            14  C8x C    32.2095  -18.2172
            15  C8x C    30.9972  -17.5223
            16  O7a O    26.1477  -16.1333
BOND        17
            1     7   8 1
            2     2   3 1
            3     8   9 1
            4     3   4 2
            5     9  10 1
            6     4   5 1
            7     5   6 2
            8     6   1 1
            9     5   7 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  10 1
            16    1   2 2
            17    7  16 2


entry: D01420
formula: C11H14O3
activity: Pharmaceutic aid [antifungal agent]
remark: Therapeutic category: 7311
name:
--- 
- Butyl parahydroxybenzoate (JP15)
- Butylparaben (NF)
- Butyl parahydroxybenzoate (TN)
- Butylparaben (TN)

kcf:
ATOM        14
            1   C8x C    23.2732  -14.7736
            2   C8x C    23.2732  -16.1788
            3   C8y C    22.0788  -16.8814
            4   C8x C    20.8141  -16.1788
            5   C8x C    20.8141  -14.7736
            6   C8y C    22.0788  -14.0710
            7   C7a C    22.0788  -12.6658
            8   O1a O    22.0788  -18.2866
            9   O7a O    23.2732  -11.9632
            10  O7a O    20.8844  -11.9632
            11  C1b C    24.4676  -12.6658
            12  C1b C    25.6620  -11.9632
            13  C1b C    26.8564  -12.6658
            14  C1a C    28.0508  -11.9632
BOND        14
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     6   7 1
            8     3   8 1
            9     7   9 1
            10    7  10 2
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1


entry: D01421
name: --- - p-Aminohippurate sodium (JAN) - Aminohippurate sodium (USP) - Paraaminohippurate (TN)
formula: C9H9N2O3. Na
activity: Diagnostic aid [renal function determination]
remark: Therapeutic category: 7225
kcf:
ATOM        15
            1   N1b N    26.1819  -17.3188
            2   C1b C    27.3847  -18.0080
            3   C6a C    28.5876  -17.3117
            4   O6a O    28.5806  -15.9189
            5   O0  O    29.7904  -18.0151 #-
            6   C5a C    24.8314  -18.0151
            7   C8x C    21.2228  -17.3188
            8   C8y C    21.2228  -15.9260
            9   C8x C    22.4318  -15.2296
            10  C8x C    23.6339  -15.9260
            11  C8y C    23.6339  -17.3188
            12  C8x C    22.4318  -18.0151
            13  O5a O    24.8244  -19.4080
            14  N1a N    20.0130  -15.2296
            15  Z   Na   31.7800  -17.9200 #+
BOND        14
            1     3   5 1
            2     2   3 1
            3     1   2 1
            4     7   8 2
            5     8   9 1
            6     9  10 2
            7    10  11 1
            8    11  12 2
            9    12   7 1
            10   11   6 1
            11    1   6 1
            12    6  13 2
            13    3   4 2
            14    8  14 1


entry: D01422
formula: C10H12O3
activity: Pharmaceutic aid [antifungal agent]
remark: Therapeutic category: 7311
comment: Component of Absorptive ointment [DR:D05354]
name:
--- 
- Propyl parahydroxybenzoate (JP15)
- Propylparaben (NF)
- Propyl parahydroxybenzoate (TN)
- Propylparaben (TN)

kcf:
ATOM        13
            1   C8x C    28.3353  -18.0778
            2   C8x C    28.3353  -19.4957
            3   C8y C    27.1044  -20.2046
            4   C8x C    25.8807  -19.4957
            5   C8x C    25.8807  -18.0778
            6   C8y C    27.1044  -17.3688
            7   O1a O    27.1180  -21.6225
            8   C7a C    27.1180  -15.9509
            9   O7a O    25.8934  -15.2347
            10  C1b C    24.7476  -15.9294
            11  O7a O    28.3497  -15.2419
            12  C1b C    23.5875  -15.2562
            13  C1a C    22.4273  -15.9222
BOND        13
            1     1   2 1
            2     3   7 1
            3     2   3 2
            4     3   4 1
            5     6   8 1
            6     4   5 2
            7     8   9 1
            8     5   6 1
            9     9  10 1
            10    6   1 2
            11    8  11 2
            12   10  12 1
            13   12  13 1


entry: D01423
name: --- - Suplatast tosilate (JAN) - Ipd 1151T (TN)
formula: C16H26NO4S. C7H7O3S
remark: Therapeutic category: 4490
kcf:
ATOM        33
            1   C8x C    23.6027  -16.5496
            2   C8y C    23.6027  -17.9488
            3   C8x C    24.8174  -18.6484
            4   C8x C    26.0249  -17.9488
            5   C8y C    26.0249  -16.5496
            6   C8x C    24.8174  -15.8500
            7   O2a O    22.3943  -18.6484
            8   C1b C    21.1859  -17.9488
            9   C1c C    19.9775  -18.6484
            10  C1b C    18.7692  -17.9488
            11  O2a O    17.5608  -18.6484
            12  C1b C    16.3524  -17.9488
            13  C1a C    15.1440  -18.6484
            14  N1b N    27.2278  -15.8571
            15  C5a C    28.4362  -16.5567
            16  C1b C    29.6446  -15.8642
            17  C1b C    30.8530  -16.5638
            18  S0  S    32.0614  -15.8712 #+
            19  O5a O    28.4293  -17.9559
            20  O1a O    19.9706  -20.0475
            21  C1a C    33.2710  -16.5747
            22  C1a C    32.0660  -14.4720
            23  C8y C    36.6613  -16.0237
            24  C8x C    35.4390  -16.7255
            25  C8x C    37.8776  -16.7255
            26  S4a S    36.7136  -14.6201
            27  C8x C    35.4390  -18.1289
            28  C8x C    37.8776  -18.1289
            29  O3c O    35.3101  -14.6201
            30  O3c O    38.1232  -14.6201
            31  O0  O    36.7079  -13.2165 #-
            32  C8y C    36.6613  -18.8424
            33  C1a C    36.6671  -20.2460
BOND        33
            1    15  16 1
            2    16  17 1
            3     7   8 1
            4    17  18 1
            5     1   2 1
            6    15  19 2
            7     8   9 1
            8     9  20 1
            9     2   3 2
            10   18  21 1
            11    9  10 1
            12   18  22 1
            13    3   4 1
            14   10  11 1
            15    4   5 2
            16   11  12 1
            17    5   6 1
            18   12  13 1
            19    6   1 2
            20    5  14 1
            21   14  15 1
            22    2   7 1
            23   23  24 1
            24   23  25 2
            25   23  26 1
            26   24  27 2
            27   25  28 1
            28   26  29 2
            29   26  30 2
            30   26  31 1
            31   27  32 1
            32   32  33 1
            33   28  32 2


