# drugs

entry: D04364
remark: Therapeutic category: 2329
name:
--- 
- Dicyclomine hydrochloride - aluminium hydroxide, dried - magnesium oxide mixt
- Kolantyl (TN)

comment:
Mixture of Dicyclomine hydrochloride [DR:D00717], Aluminium hydroxide, dried [DR:D02416] and Magnesium oxide [DR:D01167]


entry: D04365
remark: Therapeutic category: 5100
comment: Component of Geschwur (TN), Neo umor (TN)
name:
--- 
- Crude glycyrrhiza extract (JP15)
- Glycyrrhiza (JP15)
- Licorice (NF)
- Licorice extract
- Glycyrrhiza (TN)


entry: D04366
remark: Therapeutic category: 2329
name:
--- 
- Pipethanate hydrochloride - liqourice extract - magnesium aluminometasilicate mixt
- Geschwur (TN)

comment:
Mixture of Pipethanate hydrochloride [DR:D01521], Licorice extract [DR:D04365] and Magunesium aluminometasilicate [DR:D03242]


entry: D04368
name: --- - Goxalapladib (USAN)
formula: C40H39F5N4O3
activity: Treatment of atherosclerosis
kcf:
ATOM        52
            1   C8x C    11.9700  -17.4300
            2   C8x C    11.9700  -18.8300
            3   C8x C    13.1824  -19.5300
            4   C8y C    14.3949  -18.8300
            5   C8y C    14.3949  -17.4300
            6   N5x N    13.1824  -16.7300
            7   C8y C    15.6073  -19.5300
            8   C8x C    16.8197  -18.8300
            9   C8y C    16.8197  -17.4300
            10  N4y N    15.6073  -16.7300
            11  O5x O    15.6073  -20.9300
            12  C1b C    15.6073  -15.3300
            13  C1b C    18.0173  -16.7385
            14  C1b C    19.2056  -17.4245
            15  C8y C    20.3964  -16.7369
            16  C8y C    21.5860  -17.4237
            17  C8y C    22.7985  -16.7237
            18  C8x C    22.7985  -15.3237
            19  C8x C    21.6088  -14.6369
            20  C8x C    20.3964  -15.3369
            21  X   F    21.5862  -18.8298
            22  X   F    24.0297  -17.4347
            23  C5a C    16.8218  -14.6288
            24  O5a O    18.0183  -15.3198
            25  N1c N    16.8218  -13.2302
            26  C1y C    18.0179  -12.5395
            27  C1b C    15.5930  -12.5206
            28  C8y C    14.3893  -13.2155
            29  C8x C    13.2062  -12.5324
            30  C8x C    11.9937  -13.2323
            31  C8y C    11.9936  -14.6323
            32  C8x C    13.1768  -15.3155
            33  C8x C    14.3893  -14.6155
            34  C8y C    10.7646  -15.3420
            35  C8x C     9.5586  -14.6458
            36  C8x C     8.3462  -15.3458
            37  C8y C     8.3462  -16.7458
            38  C8x C     9.5522  -17.4421
            39  C8x C    10.7646  -16.7420
            40  C1x C    19.2053  -13.2251
            41  C1x C    20.4177  -12.5251
            42  N1y N    20.4177  -11.1251
            43  C1x C    19.2304  -10.4395
            44  C1x C    18.0179  -11.1395
            45  C1d C     7.1287  -17.4489
            46  X   F     5.9329  -18.1392
            47  X   F     7.8234  -18.6518
            48  X   F     6.4232  -16.2274
            49  C1b C    21.6446  -10.4166
            50  C1b C    22.8518  -11.1135
            51  O2a O    24.0332  -10.4313
            52  C1a C    25.2276  -11.1209
BOND        57
            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 2
            10    9  10 1
            11    5  10 1
            12    7  11 2
            13   10  12 1
            14    9  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   16  21 1
            24   17  22 1
            25   12  23 1
            26   23  24 2
            27   23  25 1
            28   25  26 1
            29   25  27 1
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   31  32 1
            35   32  33 2
            36   28  33 1
            37   31  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
            44   26  40 1
            45   40  41 1
            46   41  42 1
            47   42  43 1
            48   43  44 1
            49   26  44 1
            50   37  45 1
            51   45  46 1
            52   45  47 1
            53   45  48 1
            54   42  49 1
            55   49  50 1
            56   50  51 1
            57   51  52 1


entry: D04370
name: --- - Granisetron (USAN)
formula: C18H24N4O
activity: Anti-emetic
remark: Same as: C07023
kcf:
ATOM        23
            1   C1x C    19.3438  -16.4308
            2   C1x C    19.4619  -15.4691
            3   C1y C    20.5155  -16.1496
            4   C1y C    20.8436  -14.9779
            5   N1y N    19.5782  -13.6656
            6   C1x C    22.3902  -16.1496
            7   C1x C    22.1090  -14.9779
            8   C1y C    23.4213  -16.7120
            9   N1b N    24.4993  -17.6025
            10  C5a C    25.7179  -17.6025
            11  C8y C    26.3272  -16.5245
            12  O5a O    26.3272  -18.7273
            13  C1a C    18.8291  -12.4814
            14  C1x C    18.2878  -14.9430
            15  C8y C    27.7272  -16.5245
            16  C8y C    28.1598  -15.1930
            17  N4y N    27.0272  -14.3701
            18  N5x N    25.8946  -15.1930
            19  C8x C    28.6640  -17.5649
            20  C8x C    30.0334  -17.2738
            21  C8x C    30.4660  -15.9423
            22  C8x C    29.5292  -14.9019
            23  C1a C    27.0273  -12.9500
BOND        26
            1     1   3 1
            2     2   4 1
            3     3   5 1
            4     3   6 1
            5     4   7 1
            6     6   8 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10   10  12 2
            11    4   5 1
            12    7   8 1
            13    5  13 1
            14    2  14 1
            15    1  14 1
            16   11  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   11  18 2
            21   15  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   16  22 2
            26   17  23 1


entry: D04373
name: --- - Guaiapate (USAN) - Klamar (TN)
formula: C18H29NO4
activity: Antitussive
kcf:
ATOM        23
            1   C8x C    17.1500  -17.7800
            2   C8x C    17.1500  -19.1800
            3   C8x C    18.3624  -19.8800
            4   C8y C    19.5749  -19.1800
            5   C8y C    19.5749  -17.7800
            6   C8x C    18.3624  -17.0800
            7   O2a O    20.7873  -19.8800
            8   C1a C    21.9997  -19.1800
            9   C1b C    21.9997  -17.7800
            10  O2a O    20.7873  -17.0800
            11  C1b C    23.1973  -17.0885
            12  O2a O    24.3856  -17.7745
            13  C1b C    25.5764  -17.0869
            14  C1b C    26.7660  -17.7737
            15  O2a O    27.9561  -17.0865
            16  C1b C    29.1462  -17.7735
            17  C1b C    30.3361  -17.0863
            18  N1y N    31.5262  -17.7735
            19  C1x C    31.5263  -19.1798
            20  C1x C    32.7388  -19.8796
            21  C1x C    33.9512  -19.1795
            22  C1x C    33.9511  -17.7732
            23  C1x C    32.7386  -17.0734
BOND        24
            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     9  10 1
            10    5  10 1
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   18  23 1


entry: D04374
name: --- - Guaithylline (USAN)
formula: C10H14O4. C7H8N4O2
activity: Bronchodilator; Expectorant
kcf:
ATOM        27
            1   C8y C    23.5548  -16.1582
            2   C8y C    23.5548  -17.5818
            3   C8y C    24.7567  -15.4523
            4   N4x N    22.2537  -15.7264
            5   N4y N    24.7567  -18.2644
            6   N5x N    22.2537  -18.0136
            7   N4y N    25.9761  -16.1874
            8   O5x O    24.7567  -14.0753
            9   C8x C    21.4369  -16.8817
            10  C8y C    25.9761  -17.5294
            11  C1a C    24.7567  -19.6940
            12  C1a C    27.2247  -15.5106
            13  O5x O    27.2247  -18.2294
            14  C8y C    12.4497  -16.4507
            15  C8y C    11.2380  -17.1497
            16  O2a O    13.6672  -17.1497
            17  C8x C    12.4497  -15.0526
            18  C8x C    10.0262  -16.4507
            19  O2a O    11.2438  -18.5478
            20  C1b C    14.8730  -16.4507
            21  C8x C    11.2380  -14.3478
            22  C8x C    10.0262  -15.0526
            23  C1a C    10.0262  -19.2585
            24  C1c C    16.0848  -17.1497
            25  C1b C    17.3021  -16.4507
            26  O1a O    16.0848  -18.5478
            27  O1a O    18.5140  -17.1438
BOND        28
            1     1   2 2
            2     1   3 1
            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    5  11 1
            11    7  12 1
            12   10  13 2
            13    6   9 2
            14    7  10 1
            15   14  15 2
            16   14  16 1
            17   14  17 1
            18   15  18 1
            19   15  19 1
            20   16  20 1
            21   17  21 2
            22   18  22 2
            23   19  23 1
            24   20  24 1
            25   24  25 1
            26   24  26 1
            27   25  27 1
            28   21  22 1


entry: D04375
name: --- - Guanabenz (USAN)
formula: C8H8Cl2N4
activity: Antihypertensive
remark: Same as: C07034
kcf:
ATOM        14
            1   C8y C    25.4195  -16.1356
            2   C8y C    25.4136  -17.5269
            3   C8y C    26.6246  -15.4253
            4   C2b C    24.2028  -15.4310
            5   C8x C    26.6246  -18.2255
            6   X   Cl   24.1969  -18.2198
            7   C8x C    27.8354  -16.1297
            8   X   Cl   26.6187  -14.0222
            9   N2b N    22.9977  -16.1356
            10  C8x C    27.8354  -17.5269
            11  N1b N    21.7868  -15.4310
            12  C2c C    20.5702  -16.1356
            13  N1a N    19.3592  -15.4310
            14  N2a N    20.5702  -17.5386
BOND        14
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    9  11 1
            11   11  12 1
            12   12  13 1
            13   12  14 2
            14    7  10 2


entry: D04376
name: --- - Guanacline sulfate (USAN)
formula: C9H18N4. H2SO4. 2H2O
activity: Antihypertensive
kcf:
ATOM        20
            1   C1x C     4.2000   -6.3000
            2   C2y C     4.2000   -7.7000
            3   C2x C     5.4124   -8.4000
            4   C1x C     6.6249   -7.7000
            5   N1y N     6.6249   -6.3000
            6   C1x C     5.4124   -5.6000
            7   C1b C     7.8560   -5.5890
            8   C1a C     2.9876   -8.4000
            9   C1b C     9.0612   -6.2847
            10  N1b N    10.2435   -5.6019
            11  C2c C    11.4375   -6.2912
            12  N1a N    12.6254   -5.6052
            13  N2a N    11.4377   -7.6997
            14  S4a S    17.8923   -6.9354
            15  O1d O    19.3003   -6.9354
            16  O1d O    16.4842   -6.9055
            17  O3c O    17.8855   -8.3434
            18  O3c O    17.8959   -5.5273
            19  O0  O    23.8700   -6.8600
            20  O0  O    23.8700   -6.8600
BOND        17
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 1
            8     2   8 1
            9     7   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   14  15 1
            15   14  16 1
            16   14  17 2
            17   14  18 2


entry: D04378
name: --- - Guancydine (USAN)
formula: C7H14N4
activity: Antihypertensive
kcf:
ATOM        11
            1   C1a C    12.9500  -10.3600
            2   C1b C    14.1624   -9.6600
            3   C1d C    15.3749  -10.3600
            4   N1b N    16.5873   -9.6600
            5   C2c C    17.7997  -10.3600
            6   C1a C    14.3849  -11.3499
            7   C1a C    16.3648  -11.3499
            8   N2b N    18.9973   -9.6685
            9   C3b C    20.1856  -10.3545
            10  N3a N    21.3980  -11.0545
            11  N1a N    17.7998  -11.7599
BOND        10
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     3   6 1
            6     3   7 1
            7     5   8 2
            8     8   9 1
            9     9  10 3
            10    5  11 1


entry: D04379
remark: Therapeutic category: 2329
name:
--- 
- Propantheline bromide - sodium copper chlorophyllin - magnesium silicate mixt
- Methaphyllin (TN)

comment:
Mixture of Propantheline bromide [DR:D00481], Sodium copper chlorophyllin [DR:D03638] and Magnesium silicate [DR:D03271]


entry: D04382
name: --- - Guanethidine sulfate (JP15) - Guanethidine monosulfate (USP) - Ismelin (TN)
formula: C10H22N4. H2SO4
activity: Antihypertensive
kcf:
ATOM        19
            1   N1y N    21.4998  -15.4594
            2   C1b C    20.2881  -14.7604
            3   C1x C    21.4998  -16.9041
            4   C1x C    22.5250  -14.4341
            5   C1b C    19.1231  -15.4594
            6   C1x C    22.4784  -17.8828
            7   C1x C    23.9230  -14.4341
            8   N1b N    17.9581  -14.7604
            9   C1x C    23.9230  -17.8828
            10  C1x C    24.9017  -15.4128
            11  C2c C    16.7464  -15.4594
            12  C1x C    24.9017  -16.9041
            13  N1a N    15.5813  -14.7604
            14  N2a N    16.7464  -16.8109
            15  S4a S    30.1701  -16.4848
            16  O3c O    30.1701  -15.0862
            17  O3c O    30.1701  -17.8833
            18  O1d O    31.5686  -16.4848
            19  O1d O    28.7716  -16.4848
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     6   9 1
            9     7  10 1
            10    8  11 1
            11    9  12 1
            12   11  13 1
            13   11  14 2
            14   10  12 1
            15   15  16 2
            16   15  17 2
            17   15  18 1
            18   15  19 1


entry: D04384
name: --- - Guanisoquin sulfate (USAN)
formula: (C10H12BrN3)2. H2SO4
activity: Antihypertensive
kcf:
ATOM        33
            1   C8y C    10.5000  -17.0800
            2   C8x C    10.5000  -18.4800
            3   C8x C    11.7124  -19.1800
            4   C8y C    12.9249  -18.4800
            5   C8y C    12.9249  -17.0800
            6   C8x C    11.7124  -16.3800
            7   C1x C    14.1373  -19.1800
            8   C1x C    15.3497  -18.4800
            9   N1y N    15.3497  -17.0800
            10  C1x C    14.1373  -16.3800
            11  X   Br    9.2876  -16.3800
            12  C2c C    16.5473  -16.3885
            13  N1a N    17.7356  -17.0745
            14  N2a N    16.5474  -14.9803
            15  S4a S    24.7800  -17.0100
            16  O3c O    24.7800  -15.6100
            17  O3c O    24.7800  -18.4100
            18  O1d O    23.3800  -17.0100
            19  O1d O    26.1800  -17.0100
            20  C8y C    10.5000  -17.0800
            21  C8x C    10.5000  -18.4800
            22  C8x C    11.7124  -19.1800
            23  C8y C    12.9249  -18.4800
            24  C8y C    12.9249  -17.0800
            25  C8x C    11.7124  -16.3800
            26  C1x C    14.1373  -16.3800
            27  N1y N    15.3497  -17.0800
            28  C1x C    15.3497  -18.4800
            29  C1x C    14.1373  -19.1800
            30  C2c C    16.5473  -16.3885
            31  N1a N    17.7356  -17.0745
            32  N2a N    16.5474  -14.9803
            33  X   Br    9.2876  -16.3800
BOND        34
            1    15  16 2
            2    15  17 2
            3    15  18 1
            4    15  19 1
            5     1   2 2
            6     2   3 1
            7     3   4 2
            8     4   5 1
            9     5   6 2
            10    1   6 1
            11    4   7 1
            12    7   8 1
            13    8   9 1
            14    9  10 1
            15    5  10 1
            16    1  11 1
            17    9  12 1
            18   12  13 1
            19   12  14 2
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   20  25 1
            26   23  29 1
            27   29  28 1
            28   28  27 1
            29   27  26 1
            30   24  26 1
            31   20  33 1
            32   27  30 1
            33   30  31 1
            34   30  32 2


entry: D04386
name: --- - Guanoclor sulfate (USAN) - Vatensol (TN)
formula: (C9H12Cl2N4O)2. H2SO4
activity: Antihypertensive
kcf:
ATOM        37
            1   C8x C     3.2900   -5.8100
            2   C8x C     3.2900   -7.2100
            3   C8x C     4.5024   -7.9100
            4   C8y C     5.7149   -7.2100
            5   C8y C     5.7149   -5.8100
            6   C8y C     4.5024   -5.1100
            7   O2a O     6.9460   -5.0990
            8   X   Cl    4.5024   -3.7102
            9   X   Cl    6.9460   -7.9210
            10  C1b C     8.1512   -5.7947
            11  C1b C     9.3335   -5.1119
            12  N1b N    10.5275   -5.8012
            13  N1b N    11.7154   -5.1152
            14  C2c C    12.9065   -5.8029
            15  N1a N    14.0959   -5.1161
            16  N2a N    12.9067   -7.2097
            17  S4a S    21.2444   -5.6936
            18  O3c O    21.2444   -4.2917
            19  O3c O    21.2444   -7.0956
            20  O1d O    19.8425   -5.6936
            21  O1d O    22.6464   -5.6936
            22  C8x C     3.2900   -5.8100
            23  C8x C     3.2900   -7.2100
            24  C8x C     4.5024   -7.9100
            25  C8y C     5.7149   -7.2100
            26  C8y C     5.7149   -5.8100
            27  C8y C     4.5024   -5.1100
            28  X   Cl    4.5024   -3.7102
            29  O2a O     6.9460   -5.0990
            30  C1b C     8.1512   -5.7947
            31  C1b C     9.3335   -5.1119
            32  N1b N    10.5275   -5.8012
            33  N1b N    11.7154   -5.1152
            34  C2c C    12.9065   -5.8029
            35  N1a N    14.0959   -5.1161
            36  N2a N    12.9067   -7.2097
            37  X   Cl    6.9460   -7.9210
BOND        36
            1    17  18 2
            2    17  19 2
            3    17  20 1
            4    17  21 1
            5     1   2 2
            6     2   3 1
            7     3   4 2
            8     4   5 1
            9     5   6 2
            10    1   6 1
            11    5   7 1
            12    6   8 1
            13    4   9 1
            14    7  10 1
            15   10  11 1
            16   11  12 1
            17   12  13 1
            18   13  14 1
            19   14  15 1
            20   14  16 2
            21   22  23 2
            22   23  24 1
            23   24  25 2
            24   25  26 1
            25   26  27 2
            26   22  27 1
            27   26  29 1
            28   27  28 1
            29   25  37 1
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   32  33 1
            34   33  34 1
            35   34  35 1
            36   34  36 2


entry: D04387
name: --- - Guanoctine hydrochloride (USAN)
formula: C9H21N3. HCl
activity: Antihypertensive
kcf:
ATOM        13
            1   C1d C    10.7800  -14.6300
            2   C1b C    11.9924  -13.9300
            3   C1d C    13.2049  -14.6300
            4   N1b N    14.4173  -13.9300
            5   C2c C    15.6297  -14.6300
            6   N2a N    16.8422  -13.9300
            7   C1a C    12.2149  -15.6199
            8   C1a C    14.1948  -15.6199
            9   C1a C     9.5676  -13.9300
            10  C1a C    10.7800  -16.0300
            11  C1a C     9.5676  -15.3300
            12  N1a N    15.6297  -16.0299
            13  X   Cl   19.8800  -15.5400
BOND        11
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     3   7 1
            7     3   8 1
            8     1   9 1
            9     1  10 1
            10    1  11 1
            11    5  12 1


entry: D04390
remark: Therapeutic category: 2335
comment: Hydrochloric acid [DR:D02057] is contained by 9.5 - 10.5 %
name:
--- 
- Dilute hydrochloric acid (JP15)
- Hydrochloric acid lemonade (JP15)
- Dilute hydrochloric acid (TN)


entry: D04393
name: --- - Aluminum hydroxide, dried - magnesium hydroxide mixt - Maalox (TN)
remark: Therapeutic category: 2349
comment:
Mixture of Aluminum hydroxide, dried [DR:D02416] and magnesium hydroxide [DR:D00731] See [DR:D04394]


entry: D04396
remark: Therapeutic category: 2354
name:
--- 
- Cascara sagrada fluidextract (JAN)
- Cascara sagrada (USP)
- Cascara sagrada fluidextract (TN)


entry: D04398
name: --- - Guanoxabenz (USAN)
formula: C8H8Cl2N4O
activity: Antihypertensive
kcf:
ATOM        15
            1   C8x C    16.9400  -17.9900
            2   C8x C    16.9400  -19.3900
            3   C8x C    15.7500  -20.0900
            4   C8y C    14.4900  -19.3900
            5   C8y C    14.4900  -17.9900
            6   C8y C    15.7500  -17.2900
            7   X   Cl   15.7500  -15.8900
            8   X   Cl   13.3000  -20.0900
            9   C2b C    13.3000  -17.2900
            10  N2b N    12.0819  -17.9801
            11  N1b N    10.9005  -17.2850
            12  C2c C     9.6951  -17.9680
            13  N1b N     8.5239  -17.2791
            14  O1b O     7.3135  -17.9651
            15  N2a N     9.7531  -19.3892
BOND        15
            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     6   7 1
            8     4   8 1
            9     5   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   12  15 2


entry: D04399
name: --- - Guanoxan sulfate (USAN) - Envacar (TN)
formula: (C10H13N3O2)2. H2SO4
activity: Antihypertensive
kcf:
ATOM        35
            1   C8x C    11.4800  -15.4700
            2   C8x C    11.4800  -16.8700
            3   C8x C    12.6924  -17.5700
            4   C8y C    13.9049  -16.8700
            5   C8y C    13.9049  -15.4700
            6   C8x C    12.6924  -14.7700
            7   O2x O    15.1173  -17.5700
            8   C1x C    16.3297  -16.8700
            9   C1y C    16.3297  -15.4700
            10  O2x O    15.1173  -14.7700
            11  C1b C    17.5273  -14.7785
            12  N1b N    18.7156  -15.4645
            13  C2c C    19.9064  -14.7769
            14  N1a N    21.0960  -15.4637
            15  N2a N    19.9064  -13.3702
            16  S4a S    27.9644  -15.3536
            17  O3c O    27.9644  -13.9517
            18  O3c O    27.9644  -16.7556
            19  O1d O    26.5625  -15.3536
            20  O1d O    29.3664  -15.3536
            21  C8x C    11.4800  -15.4700
            22  C8x C    11.4800  -16.8700
            23  C8x C    12.6924  -17.5700
            24  C8y C    13.9049  -16.8700
            25  C8y C    13.9049  -15.4700
            26  C8x C    12.6924  -14.7700
            27  O2x O    15.1173  -14.7700
            28  C1y C    16.3297  -15.4700
            29  C1x C    16.3297  -16.8700
            30  O2x O    15.1173  -17.5700
            31  C1b C    17.5273  -14.7785
            32  N1b N    18.7156  -15.4645
            33  C2c C    19.9064  -14.7769
            34  N1a N    21.0960  -15.4637
            35  N2a N    19.9064  -13.3702
BOND        36
            1    16  17 2
            2    16  18 2
            3    16  19 1
            4    16  20 1
            5     1   2 2
            6     2   3 1
            7     3   4 2
            8     4   5 1
            9     5   6 2
            10    1   6 1
            11    4   7 1
            12    7   8 1
            13    8   9 1
            14    9  10 1
            15    5  10 1
            16    9  11 1
            17   11  12 1
            18   12  13 1
            19   13  14 1
            20   13  15 2
            21   21  22 2
            22   22  23 1
            23   23  24 2
            24   24  25 1
            25   25  26 2
            26   21  26 1
            27   24  30 1
            28   30  29 1
            29   29  28 1
            30   28  27 1
            31   25  27 1
            32   28  31 1
            33   31  32 1
            34   32  33 1
            35   33  34 1
            36   33  35 2


entry: D04401
name: --- - Guanoxyfen sulfate (USAN)
formula: (C10H15N3O)2. H2SO4
activity: Antihypertensive; Antidepressant
kcf:
ATOM        33
            1   C8x C     8.7500  -13.6500
            2   C8x C     8.7500  -15.0500
            3   C8x C     9.9624  -15.7500
            4   C8x C    11.1749  -15.0500
            5   C8y C    11.1749  -13.6500
            6   C8x C     9.9624  -12.9500
            7   O2a O    12.4060  -12.9390
            8   C1b C    13.6112  -13.6347
            9   C1b C    14.7935  -12.9519
            10  C1b C    15.9875  -13.6412
            11  N1b N    17.1754  -12.9552
            12  C2c C    18.3665  -13.6429
            13  N1a N    19.5559  -12.9561
            14  N2a N    18.3667  -15.0497
            15  S4a S    26.0164  -13.9986
            16  O3c O    26.0164  -12.5926
            17  O3c O    26.0164  -15.4047
            18  O1d O    24.6104  -13.9986
            19  O1d O    27.4225  -13.9986
            20  C8x C     8.7500  -13.6500
            21  C8x C     8.7500  -15.0500
            22  C8x C     9.9624  -15.7500
            23  C8x C    11.1749  -15.0500
            24  C8y C    11.1749  -13.6500
            25  C8x C     9.9624  -12.9500
            26  O2a O    12.4060  -12.9390
            27  C1b C    13.6112  -13.6347
            28  C1b C    14.7935  -12.9519
            29  C1b C    15.9875  -13.6412
            30  N1b N    17.1754  -12.9552
            31  C2c C    18.3665  -13.6429
            32  N1a N    19.5559  -12.9561
            33  N2a N    18.3667  -15.0497
BOND        32
            1    15  16 2
            2    15  17 2
            3    15  18 1
            4    15  19 1
            5     1   2 2
            6     2   3 1
            7     3   4 2
            8     4   5 1
            9     5   6 2
            10    1   6 1
            11    5   7 1
            12    7   8 1
            13    8   9 1
            14    9  10 1
            15   10  11 1
            16   11  12 1
            17   12  13 1
            18   12  14 2
            19   20  21 2
            20   21  22 1
            21   22  23 2
            22   23  24 1
            23   24  25 2
            24   20  25 1
            25   24  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   31  33 2


entry: D04405
name: --- - Goserelin (USAN)
formula: C59H84N18O14
activity: LHRH agonist
kcf:
ATOM        91
            1   C8y C    25.0475  -13.6432
            2   C8y C    25.4672  -12.3138
            3   C1b C    23.8580  -14.3428
            4   C8x C    26.1669  -14.4827
            5   C8y C    26.8665  -12.3138
            6   C8x C    24.8376  -11.1244
            7   C1c C    23.8580  -15.7421
            8   N4x N    27.2863  -13.6432
            9   C8x C    27.5662  -11.1244
            10  C8x C    25.5372   -9.9350
            11  N1b N    22.6686  -16.4418
            12  C5a C    25.0475  -16.4418
            13  C8x C    26.8665   -9.9350
            14  C5a C    21.4093  -15.7421
            15  N1b N    26.2369  -15.7421
            16  O5a O    25.0475  -17.8411
            17  C1c C    20.2199  -16.4418
            18  O5a O    21.4093  -14.3428
            19  C1c C    27.4263  -16.4418
            20  C1b C    20.2199  -17.8411
            21  N1b N    19.0305  -15.7421
            22  C5a C    28.6856  -15.7421
            23  C1b C    27.4263  -17.8411
            24  C8y C    21.4093  -18.4707
            25  C5a C    17.8411  -16.4418
            26  N1b N    29.8750  -16.4418
            27  O5a O    28.6856  -14.3428
            28  O1a O    28.6856  -18.4707
            29  C8x C    22.8086  -18.1209
            30  N5x N    21.4093  -19.8700
            31  C1y C    16.6517  -15.7421
            32  O5a O    17.8411  -17.8411
            33  C1c C    31.0644  -15.7421
            34  N4x N    23.5082  -19.3103
            35  C8x C    22.6686  -20.3598
            36  C1x C    15.3223  -16.1619
            37  N1x N    16.6517  -14.3428
            38  C1b C    31.0644  -14.3428
            39  C5a C    32.2538  -16.4418
            40  C1x C    14.4827  -15.0425
            41  C5x C    15.3223  -13.9230
            42  C8y C    32.2538  -13.6432
            43  N1b N    33.4432  -15.7421
            44  O5a O    32.2538  -17.8411
            45  O5x O    14.9025  -12.5937
            46  C8x C    33.4432  -14.3428
            47  C8x C    32.2538  -12.2439
            48  C1c C    34.6326  -16.4418
            49  C8x C    34.6326  -13.6432
            50  C8x C    33.4432  -11.5442
            51  C5a C    35.8920  -15.7421
            52  C1b C    34.6326  -17.8411
            53  C8y C    34.6326  -12.2439
            54  N1b N    37.0814  -16.4418
            55  O5a O    35.8920  -14.3428
            56  O2a O    33.4432  -18.4707
            57  O1a O    35.8221  -11.5442
            58  C1c C    38.2708  -15.7421
            59  C1d C    33.4432  -19.8700
            60  C5a C    39.4602  -16.4418
            61  C1b C    38.2708  -14.3428
            62  C1a C    33.4432  -21.3393
            63  C1a C    34.8425  -19.8700
            64  C1a C    32.1839  -19.8700
            65  N1b N    40.6496  -15.7421
            66  O5a O    39.4602  -17.8411
            67  C1c C    39.4602  -13.6432
            68  C1c C    41.8390  -16.4418
            69  C1a C    39.4602  -12.2439
            70  C1a C    40.6496  -14.3428
            71  C5a C    43.0984  -15.7421
            72  C1b C    41.8390  -17.8411
            73  N1y N    44.2878  -16.4418
            74  O5a O    43.0984  -14.3428
            75  C1b C    40.6496  -18.4707
            76  C1y C    45.6871  -16.4418
            77  C1x C    43.8680  -17.7711
            78  C1b C    40.6496  -19.8700
            79  C1x C    46.1069  -17.7011
            80  C5a C    46.8765  -15.6721
            81  C1x C    44.9875  -18.5407
            82  N1b N    39.4602  -20.5697
            83  N1b N    48.0659  -16.3718
            84  O5a O    46.8765  -14.3428
            85  C2c C    38.2708  -19.8700
            86  N1b N    48.0659  -19.1704
            87  N1a N    37.0814  -20.5697
            88  N2a N    38.2708  -18.4707
            89  C5a C    46.8765  -19.8700
            90  N1a N    46.8765  -21.2693
            91  O5a O    45.8270  -19.3103
BOND        96
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    7  12 1
            12    9  13 2
            13   11  14 1
            14   12  15 1
            15   12  16 2
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   17  20 1
            20   17  21 1
            21   19  22 1
            22   19  23 1
            23   20  24 1
            24   21  25 1
            25   22  26 1
            26   22  27 2
            27   23  28 1
            28   24  29 2
            29   24  30 1
            30   25  31 1
            31   25  32 2
            32   26  33 1
            33   29  34 1
            34   30  35 2
            35   31  36 1
            36   31  37 1
            37   33  38 1
            38   33  39 1
            39   36  40 1
            40   37  41 1
            41   38  42 1
            42   39  43 1
            43   39  44 2
            44   41  45 2
            45   42  46 2
            46   42  47 1
            47   43  48 1
            48   46  49 1
            49   47  50 2
            50   48  51 1
            51   48  52 1
            52   49  53 2
            53   51  54 1
            54   51  55 2
            55   52  56 1
            56   53  57 1
            57   54  58 1
            58   56  59 1
            59   58  60 1
            60   58  61 1
            61   59  62 1
            62   59  63 1
            63   59  64 1
            64   60  65 1
            65   60  66 2
            66   61  67 1
            67   65  68 1
            68   67  69 1
            69   67  70 1
            70   68  71 1
            71   68  72 1
            72   71  73 1
            73   71  74 2
            74   72  75 1
            75   73  76 1
            76   73  77 1
            77   75  78 1
            78   76  79 1
            79   76  80 1
            80   77  81 1
            81   78  82 1
            82   80  83 1
            83   80  84 2
            84   82  85 1
            85   83  86 1
            86   85  87 1
            87   85  88 2
            88   86  89 1
            89   89  90 1
            90   89  91 2
            91    5   8 1
            92   10  13 1
            93   34  35 1
            94   40  41 1
            95   50  53 1
            96   79  81 1


entry: D04408
name: --- - Carlsbad salt - Artificial carlsbad salt (TN)
remark: Therapeutic category: 2359
comment:
Mixture of Sodium sulfate, dried [DR:D01732], Sodium bicarbonate [DR:D01203], Sodium chloride [DR:D02056] and Potassium sulfate [DR:D01726]


entry: D04409
name: --- - Halobetasol propionate (USAN) - Ulobetasol propionate - Ultravate (TN)
formula: C25H31ClF2O5
activity: Anti-inflammatory [topical]
kcf:
ATOM        33
            1   C2x C    25.9999  -16.2761
            2   C5x C    25.9999  -17.6511
            3   C2x C    27.1906  -18.3386
            4   C2y C    28.3815  -17.6511
            5   C1z C    28.3815  -16.2761
            6   C2x C    27.1906  -15.5886
            7   C1y C    29.5722  -18.3386
            8   C1x C    30.7630  -17.6511
            9   C1y C    30.7630  -16.2761
            10  C1z C    29.5722  -15.5886
            11  C1y C    31.9538  -15.5886
            12  C1z C    31.9538  -14.2137
            13  C1x C    30.7630  -13.5262
            14  C1y C    29.5722  -14.2137
            15  X   F    29.5722  -16.9636
            16  X   F    29.5722  -19.7136
            17  C1a C    31.9538  -12.8387
            18  O1a O    28.3834  -13.5273
            19  C1a C    28.3815  -14.9012
            20  O5x O    24.8091  -18.3386
            21  C1x C    33.2615  -16.0135
            22  C1y C    34.0697  -14.9012
            23  C1z C    33.2615  -13.7888
            24  C5a C    33.2615  -11.7588
            25  O5a O    34.4648  -11.0640
            26  C1b C    32.0410  -11.0541
            27  X   Cl   30.8404  -11.7474
            28  O7a O    35.3138  -13.0064
            29  C1a C    35.4900  -14.9010
            30  C7a C    36.5262  -13.7064
            31  C1b C    37.7387  -13.0064
            32  C1a C    38.9504  -13.7060
            33  O7a O    36.5261  -15.1199
BOND        36
            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   10  15 1 #Down
            18    7  16 1 #Down
            19   12  17 1 #Up
            20   14  18 1 #Up
            21    5  19 1 #Up
            22    2  20 2
            23   11  21 1
            24   21  22 1
            25   22  23 1
            26   12  23 1
            27   23  24 1 #Up
            28   24  25 2
            29   24  26 1
            30   26  27 1
            31   23  28 1 #Down
            32   22  29 1 #Up
            33   28  30 1
            34   30  31 1
            35   31  32 1
            36   30  33 2


entry: D04411
name: --- - Halofenate (USAN)
formula: C19H17ClF3NO4
activity: Antihyperlipoproteinemic; Uricosuric
kcf:
ATOM        28
            1   C8y C    12.0400  -15.2600
            2   C8x C    12.0400  -16.6600
            3   C8x C    13.2524  -17.3600
            4   C8x C    14.4649  -16.6600
            5   C8y C    14.4649  -15.2600
            6   C8x C    13.2524  -14.5600
            7   C1d C    10.8276  -14.5600
            8   O2a O    15.6960  -14.5490
            9   X   F     9.6151  -13.8600
            10  X   F    11.5757  -13.3627
            11  X   F    10.0921  -15.7371
            12  C1c C    16.9012  -15.2447
            13  C7a C    18.0835  -14.5619
            14  C8y C    16.9016  -16.6596
            15  C8x C    15.6658  -17.3740
            16  C8x C    15.6665  -18.7740
            17  C8y C    16.8793  -19.4734
            18  C8x C    18.1152  -18.7590
            19  C8x C    18.1144  -17.3590
            20  X   Cl   16.8800  -20.8600
            21  O7a O    19.2775  -15.2512
            22  O7a O    18.0835  -13.1602
            23  C1b C    20.4654  -14.5652
            24  C1b C    21.6565  -15.2529
            25  N1b N    22.8459  -14.5661
            26  C5a C    24.0362  -15.2534
            27  C1a C    25.2261  -14.5663
            28  O5a O    24.0364  -16.6598
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     1   7 1
            8     5   8 1
            9     7   9 1
            10    7  10 1
            11    7  11 1
            12    8  12 1
            13   12  13 1
            14   12  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1
            21   17  20 1
            22   13  21 1
            23   13  22 2
            24   21  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   26  28 2


entry: D04412
name: --- - Compound iodine glycerin (JP15) - Lugol (TN)
remark: Therapeutic category: 2399 2790
comment:
Mixture of Iodine [DR:D00108], Potassium iodide [DR:D01016], Liquefied phenol [DR:D00030], Glycerin [DR:D00028] and Mentha harb [DR:D04410]


entry: D04413
name: --- - Halofuginone hydrobromide (USAN) - Stenorol (TN)
formula: C16H17BrClN3O3. HBr
activity: Antiprotozoal
kcf:
ATOM        25
            1   C1y C    21.9800  -13.0200
            2   C1y C    23.1700  -12.3200
            3   C1x C    24.4300  -13.0200
            4   C1x C    24.4300  -14.4200
            5   C1x C    23.2400  -15.1200
            6   N1x N    21.9800  -14.4200
            7   O1a O    23.1700  -10.9200
            8   C8y C    12.3900  -14.4200
            9   C8y C    12.3900  -13.0200
            10  C8x C    13.5800  -12.3200
            11  C8y C    14.8400  -13.0200
            12  C8y C    14.8400  -14.4200
            13  C8x C    13.5800  -15.1200
            14  C8y C    16.0300  -12.3200
            15  N4y N    17.2200  -13.0200
            16  C8x C    17.2200  -14.4200
            17  N5x N    16.0300  -15.1200
            18  X   Br   11.2000  -15.1200
            19  X   Cl   11.2000  -12.3200
            20  O5x O    16.0300  -10.9200
            21  C1b C    18.4100  -12.3200
            22  C5a C    19.6000  -13.0200
            23  C1b C    20.7900  -12.3200
            24  O5a O    19.6000  -14.4200
            25  X   Br   26.4600  -13.3700
BOND        26
            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     2   7 1 #Down
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13    8  13 1
            14   11  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 2
            18   12  17 1
            19    8  18 1
            20    9  19 1
            21   14  20 2
            22   15  21 1
            23   21  22 1
            24   22  23 1
            25   22  24 2
            26    1  23 1 #Up


entry: D04414
name: --- - Haloprogesterone (USAN)
formula: C21H28BrFO2
activity: Progestin
kcf:
ATOM        25
            1   C1x C    37.9105  -26.3423
            2   C5x C    37.9105  -27.7382
            3   C2x C    39.1194  -28.4362
            4   C2y C    40.3284  -27.7382
            5   C1z C    40.3284  -26.3423
            6   C1x C    39.1194  -25.6444
            7   C1y C    41.5372  -28.4362
            8   C1x C    42.7461  -27.7382
            9   C1y C    42.7461  -26.3423
            10  C1y C    41.5372  -25.6444
            11  C1y C    43.9550  -25.6444
            12  C1z C    43.9550  -24.2485
            13  C1x C    42.7461  -23.5505
            14  C1x C    41.5372  -24.2485
            15  O5x O    36.7017  -28.4362
            16  C1a C    40.3284  -24.9464
            17  C1a C    43.9550  -22.8526
            18  X   F    41.5372  -29.8321
            19  C1x C    46.3799  -25.6444
            20  C1x C    46.3799  -24.2485
            21  C1z C    45.1675  -23.5485
            22  C5a C    45.1675  -22.1485
            23  O5a O    46.3788  -21.4491
            24  C1a C    43.9295  -21.4341
            25  X   Br   46.3799  -22.8485
BOND        28
            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    2  15 2
            18    5  16 1 #Up
            19   12  17 1 #Up
            20    7  18 1 #Down
            21   11  19 1
            22   19  20 1
            23   20  21 1
            24   12  21 1
            25   21  22 1 #Up
            26   22  23 2
            27   22  24 1
            28   21  25 1 #Down


entry: D04415
name: --- - Halquinols (USAN) - Quinolor (TN)
formula: C9H5NO(R1)(R2)
activity: Anti-infective, topical
comment:
Mixture of Chloroxine, Chloroxine, and 7-Chloroquinolin-8-ol Chloroxine (R1 = -Cl, R2 = -Cl) [DR:D03472] Chloroxine (R1 = -H, R2 = -Cl) [DR:D03472] 7-Chloroquinolin-8-ol (CAS 876-86-8) (R1 = -Cl, R2 = -H)

kcf:
ATOM        13
            1   C8y C    29.4702  -14.9105
            2   C8x C    29.4702  -16.3105
            3   C8y C    30.6827  -17.0105
            4   C8y C    31.8952  -16.3105
            5   C8y C    31.8952  -14.9105
            6   C8y C    30.6827  -14.2104
            7   C8x C    33.1076  -17.0105
            8   C8x C    34.3200  -16.3105
            9   C8x C    34.3200  -14.9105
            10  N5x N    33.1076  -14.2104
            11  O1a O    30.6827  -12.8106
            12  Z   R#   28.2578  -14.2104
            13  Z   R#   30.6827  -18.4104
BOND        14
            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 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    6  11 1
            13    1  12 1
            14    3  13 1


entry: D04424
name: --- - Potassium phosphate, dibasic - inorganic salt mixt - Saliveht (TN)
remark: Therapeutic category: 2399
comment:
Mixture of Potassium phosphate, dibasic [DR:D02403], Saliveht (TN) [DR:D02060], Sodium chloride [DR:D02056] and Magnesium chloride [DR:D04834]


entry: D04425
remark: Therapeutic category: 2399
name:
--- 
- Chlorhexidine hydrochloride - hydrocortisone acetate - benzalkonium chloride - diphenhydramine salicylate mixt
- Despa (TN)

comment:
Mixture of Chlorhexidine hydrochloride [DR:D01345], Hydrocortisone acetate [DR:D00165], Benzalkonium chloride [DR:D00857] and Diphenhydramine salicylate [DR:D02419]


entry: D04428
remark: Therapeutic category: 2413
name:
--- 
- Human menopausal gonadotrophin (JP15)
- Human menopausal gonadotrophin, purified (JAN)
- HMG (TN)


entry: D04433
name: --- - Hetaflur (USAN)
formula: C16H35N. HF
activity: Dental caries prophylactic
kcf:
ATOM        18
            1   C1a C    33.9142  -15.9600
            2   C1b C    35.1266  -15.2600
            3   C1b C    36.3391  -15.9600
            4   C1b C    37.5515  -15.2600
            5   N1a N    38.7639  -15.9600
            6   X   F    42.5602  -15.9600
            7   C1b C    35.1266  -15.2600
            8   C1b C    36.3391  -15.9600
            9   C1b C    35.1266  -15.2600
            10  C1b C    36.3391  -15.9600
            11  C1b C    35.1266  -15.2600
            12  C1b C    36.3391  -15.9600
            13  C1b C    35.1266  -15.2600
            14  C1b C    36.3391  -15.9600
            15  C1b C    35.1266  -15.2600
            16  C1b C    36.3391  -15.9600
            17  C1b C    35.1266  -15.2600
            18  C1b C    36.3391  -15.9600
BOND        16
            1     4   5 1
            2     1   2 1
            3     2   3 1
            4     3   7 1
            5     7   8 1
            6     8   9 1
            7     9  10 1
            8    10  11 1
            9    11  12 1
            10   12  13 1
            11   13  14 1
            12   14  15 1
            13   15  16 1
            14   16  17 1
            15   17  18 1
            16   18   4 1


entry: D04434
name: --- - Heteronium bromide (USAN)
formula: C18H22NO3S. Br
activity: Anticholinergic
kcf:
ATOM        24
            1   C1d C    28.0656  -14.8851
            2   C8y C    26.5989  -14.9375
            3   C8y C    28.0716  -16.3460
            4   C7a C    29.4156  -14.9375
            5   O1a O    28.0773  -13.6696
            6   S2x S    25.7632  -13.7395
            7   C8x C    25.7281  -16.1063
            8   C8x C    26.8736  -17.0529
            9   C8x C    29.2812  -17.0412
            10  O7a O    30.0991  -13.7221
            11  O7a O    30.1343  -16.1297
            12  C8x C    24.3667  -14.1721
            13  C8x C    24.3433  -15.6330
            14  C8x C    26.8853  -18.4496
            15  C8x C    29.2870  -18.4262
            16  C1y C    31.4900  -13.6988
            17  C8x C    28.0890  -19.1274
            18  C1x C    32.2906  -12.5651
            19  C1x C    32.3256  -14.8091
            20  N2y N    33.6230  -12.9741 #+
            21  C1x C    33.5705  -14.3648
            22  C1a C    34.0668  -11.7119
            23  C1a C    35.0429  -13.3247
            24  X   Br   33.2673  -16.8357 #-
BOND        25
            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 2
            8     3   9 1
            9     4  10 1
            10    4  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 2
            15   10  16 1
            16   14  17 2
            17   16  18 1
            18   16  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   12  13 2
            24   15  17 1
            25   20  21 1


entry: D04435
name: --- - Hexafluorenium bromide (USAN) - Mylaxen (TN)
formula: C36H42N2. 2Br
activity: Relaxant [skeletal muscle]; Synergist [succinylcholine]
kcf:
ATOM        40
            1   C8y C    18.2000  -13.7900
            2   C8y C    19.6000  -13.7900
            3   C8y C    20.0200  -12.4600
            4   C1y C    18.9000  -11.6200
            5   C8y C    17.7800  -12.4600
            6   C8x C    20.5100  -14.8400
            7   C8x C    21.9100  -14.5600
            8   C8x C    22.3300  -13.2300
            9   C8x C    21.4200  -12.1800
            10  C8x C    16.3800  -12.1800
            11  C8x C    15.4700  -13.2300
            12  C8x C    15.8900  -14.5600
            13  C8x C    17.2900  -14.8400
            14  N1d N    18.9000  -10.2200 #+
            15  C1a C    17.7100   -9.5200
            16  C1b C    20.0900   -9.5200
            17  C1a C    17.7100  -10.9200
            18  C1b C    21.2800  -10.2200
            19  C1b C    22.4700   -9.5200
            20  C1b C    23.6600  -10.2200
            21  C1b C    24.8500   -9.5200
            22  C1b C    26.0400  -10.2200
            23  N1d N    27.2300   -9.5200 #+
            24  C1a C    28.6300  -10.2200
            25  C1y C    27.2300   -8.1200
            26  C1a C    28.6300   -8.8200
            27  C8y C    27.9300   -5.9500
            28  C8y C    26.5300   -5.9500
            29  C8y C    26.1100   -7.2800
            30  C8y C    28.3500   -7.2800
            31  C8x C    29.7169   -7.5824
            32  C8x C    30.6623   -6.5498
            33  C8x C    30.2423   -5.2198
            34  C8x C    28.8754   -4.9174
            35  C8x C    25.5846   -4.9174
            36  C8x C    24.2177   -5.2198
            37  C8x C    23.7977   -6.5498
            38  C8x C    24.7431   -7.5824
            39  X   Br   18.6900   -8.1200 #-
            40  X   Br   27.0900  -11.5500 #-
BOND        43
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     2   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    3   9 2
            11    5  10 2
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15    1  13 2
            16    4  14 1
            17   14  15 1
            18   14  16 1
            19   14  17 1
            20   16  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   23  25 1
            28   23  26 1
            29   27  28 1
            30   28  29 1
            31   29  25 1
            32   25  30 1
            33   27  30 1
            34   30  31 2
            35   31  32 1
            36   32  33 2
            37   33  34 1
            38   27  34 2
            39   28  35 2
            40   35  36 1
            41   36  37 2
            42   37  38 1
            43   29  38 2


entry: D04436
name: --- - Hexaminolevulinate hydrochloride (USAN)
formula: C11H21NO3. HCl
activity: Diagnostic agent for the diagnosis of bladder cancer
kcf:
ATOM        16
            1   C1a C    11.6649  -16.4500
            2   C1b C    12.8773  -15.7500
            3   C1b C    14.0897  -16.4500
            4   C1b C    15.3022  -15.7500
            5   C1b C    16.5146  -16.4500
            6   C1b C    17.7271  -15.7500
            7   O7a O    18.9396  -16.4500
            8   C7a C    20.1520  -15.7500
            9   C1b C    21.3645  -16.4500
            10  C1b C    22.5769  -15.7500
            11  C5a C    23.7893  -16.4500
            12  C1b C    25.0018  -15.7500
            13  O7a O    20.1519  -14.3500
            14  O5a O    23.7892  -17.8500
            15  N1a N    26.2053  -16.4450
            16  X   Cl   30.2400  -16.4500
BOND        14
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    8  13 2
            13   11  14 2
            14   12  15 1


entry: D04437
name: --- - Hexedine (USAN) - Sterisol (TN)
formula: C22H45N3
activity: Antibacterial
kcf:
ATOM        25
            1   C1z C    13.0200  -10.0100
            2   N1y N    14.4200  -10.0100
            3   C1x C    14.8526   -8.6785
            4   N1y N    13.7200   -7.8556
            5   C1x C    12.5874   -8.6785
            6   C1x C    12.5874  -11.3415
            7   N1y N    13.7200  -12.1644
            8   C1x C    14.8526  -11.3415
            9   C1a C    11.6200  -10.0100
            10  C1b C    13.7200   -6.4400
            11  C1c C    14.9324   -5.7400
            12  C1b C    16.1279   -6.4304
            13  C1b C    13.7200  -13.5800
            14  C1c C    14.9324  -14.2800
            15  C1b C    16.1279  -13.5896
            16  C1b C    14.9325  -15.6798
            17  C1a C    16.1281  -16.3702
            18  C1b C    17.3153  -14.2751
            19  C1b C    18.5065  -13.5871
            20  C1a C    19.6960  -14.2738
            21  C1b C    14.9325   -4.3402
            22  C1a C    16.1281   -3.6498
            23  C1b C    17.3153   -5.7449
            24  C1b C    18.5065   -6.4329
            25  C1a C    19.6960   -5.7462
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     2   8 1
            10    1   9 1
            11    4  10 1
            12   10  11 1
            13   11  12 1
            14    7  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 1
            18   16  17 1
            19   15  18 1
            20   18  19 1
            21   19  20 1
            22   11  21 1
            23   21  22 1
            24   12  23 1
            25   23  24 1
            26   24  25 1


entry: D04438
name: --- - Hexobendine (USAN)
formula: C30H44N2O10
activity: Vasodilator
kcf:
ATOM        42
            1   C8y C    11.4800  -17.9200
            2   C8y C    11.4800  -19.3200
            3   C8y C    12.6924  -20.0200
            4   C8x C    13.9049  -19.3200
            5   C8y C    13.9049  -17.9200
            6   C8x C    12.6924  -17.2200
            7   O2a O    10.2676  -17.2200
            8   O2a O    10.2676  -20.0200
            9   O2a O    12.6924  -21.4198
            10  C1a C    11.4632  -22.1297
            11  C1a C     9.0721  -19.3296
            12  C1a C     9.0721  -17.9104
            13  C7a C    15.1360  -17.2090
            14  O7a O    16.3412  -17.9047
            15  O7a O    15.1357  -15.8201
            16  C1b C    17.5235  -17.2219
            17  C1b C    18.7175  -17.9112
            18  C1b C    19.9054  -17.2252
            19  N1c N    21.0965  -17.9129
            20  C1b C    22.2859  -17.2261
            21  C1a C    21.0967  -19.3197
            22  C1b C    23.4762  -17.9134
            23  N1c N    24.6661  -17.2263
            24  C1b C    25.8562  -17.9135
            25  C1a C    24.6661  -15.8202
            26  C1b C    27.0461  -17.2264
            27  C1b C    28.2362  -17.9135
            28  O7a O    29.4261  -17.2264
            29  C7a C    30.6162  -17.9135
            30  C8y C    31.8061  -17.2264
            31  O7a O    30.6163  -19.3198
            32  C8x C    32.9962  -17.9135
            33  C8y C    34.2086  -17.2135
            34  C8y C    34.2087  -15.8135
            35  C8y C    33.0186  -15.1264
            36  C8x C    31.8061  -15.8264
            37  O2a O    35.4398  -17.9245
            38  O2a O    35.4342  -15.1058
            39  O2a O    33.0185  -13.7202
            40  C1a C    34.2470  -13.0107
            41  C1a C    36.6420  -15.8031
            42  C1a C    36.6393  -17.2320
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     1   7 1
            8     2   8 1
            9     3   9 1
            10    9  10 1
            11    8  11 1
            12    7  12 1
            13    5  13 1
            14   13  14 1
            15   13  15 2
            16   14  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   19  21 1
            22   20  22 1
            23   22  23 1
            24   23  24 1
            25   23  25 1
            26   24  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   29  31 2
            32   30  32 2
            33   32  33 1
            34   33  34 2
            35   34  35 1
            36   35  36 2
            37   30  36 1
            38   33  37 1
            39   34  38 1
            40   35  39 1
            41   39  40 1
            42   38  41 1
            43   37  42 1


entry: D04439
name: --- - Hexylene glycol (NF)
formula: C6H14O2
activity: Pharmaceutic aid [humectant]; Pharmaceutic aid [solvent]
kcf:
ATOM        8
            1   C1a C    14.7000  -14.9100
            2   C1d C    15.9124  -14.2100
            3   C1b C    17.1249  -14.9100
            4   C1c C    18.3373  -14.2100
            5   C1a C    19.5497  -14.9100
            6   O1a O    15.9124  -12.8102
            7   C1a C    14.6833  -13.5002
            8   O1a O    18.3373  -12.8100
BOND        7
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 1
            6     2   7 1
            7     4   8 1


entry: D04441
name: --- - Hexylresorcinol (USP)
formula: C12H18O2
activity: Anthelmintic
kcf:
ATOM        14
            1   C8x C    24.7944  -17.5000
            2   C8y C    24.7944  -16.1000
            3   C8x C    26.0068  -18.2000
            4   C8y C    27.2192  -17.5000
            5   C8y C    27.2192  -16.1000
            6   C8x C    26.0068  -15.4000
            7   O1a O    23.5819  -15.4000
            8   O1a O    28.4317  -15.4000
            9   C1b C    28.4317  -18.2000
            10  C1b C    29.6441  -17.5000
            11  C1b C    30.8565  -18.2000
            12  C1b C    32.0690  -17.5000
            13  C1b C    33.2814  -18.2000
            14  C1a C    34.4938  -17.5000
BOND        14
            1     1   2 1
            2     1   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     2   6 2
            7     2   7 1
            8     5   8 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14    4   9 1


entry: D04444
name: --- - Histamine dihydrochloride (USAN)
formula: C5H9N3. 2HCl
kcf:
ATOM        10
            1   C8x C    23.1585  -15.5543
            2   C8y C    22.7261  -16.8921
            3   N4x N    22.0250  -14.7305
            4   N5x N    21.3182  -16.8921
            5   C8x C    20.8858  -15.5543
            6   C1b C    23.9289  -17.5822
            7   C1b C    25.1360  -16.8833
            8   N1a N    26.3432  -17.5752
            9   X   Cl   29.1900  -15.3300
            10  X   Cl   29.1900  -15.3300
BOND        8
            1     2   4 1
            2     3   5 1
            3     4   5 2
            4     2   6 1
            5     1   2 2
            6     6   7 1
            7     1   3 1
            8     7   8 1


entry: D04445
name: --- - Histamine phosphate (USP) - Histamine phosphate (TN)
formula: 2H3PO4. C5H9N3
activity: Stimulant [gastric secretory]
kcf:
ATOM        18
            1   C8x C     5.9385   -4.2843
            2   C8y C     5.5061   -5.6221
            3   N4x N     4.8050   -3.4605
            4   N5x N     4.0982   -5.6221
            5   C8x C     3.6658   -4.2843
            6   C1b C     6.7089   -6.3122
            7   C1b C     7.9160   -5.6133
            8   N1a N     9.1232   -6.3052
            9   P1b P    15.1900   -4.3400
            10  O3b O    15.1900   -2.9400
            11  O1c O    15.1900   -5.7400
            12  O1c O    16.6600   -4.3400
            13  O1c O    13.8600   -4.3400
            14  P1b P    15.1900   -4.3400
            15  O1c O    15.1900   -5.7400
            16  O1c O    16.6600   -4.3400
            17  O1c O    13.8600   -4.3400
            18  O3b O    15.1900   -2.9400
BOND        16
            1     2   4 1
            2     3   5 1
            3     4   5 2
            4     2   6 1
            5     1   2 2
            6     6   7 1
            7     1   3 1
            8     7   8 1
            9     9  11 1
            10    9  12 1
            11    9  13 1
            12    9  10 2
            13   14  15 1
            14   14  16 1
            15   14  17 1
            16   14  18 2


entry: D04450
name: --- - Homosalate (USP) - Eusolex (TN)
formula: C16H22O3
activity: Ultraviolet screen
kcf:
ATOM        19
            1   C8x C    11.2000  -18.0600
            2   C8x C    11.2000  -19.4600
            3   C8x C    12.4124  -20.1600
            4   C8x C    13.6249  -19.4600
            5   C8y C    13.6249  -18.0600
            6   C8y C    12.4124  -17.3600
            7   O1a O    12.4124  -15.9602
            8   C7a C    14.8560  -17.3490
            9   O7a O    16.0612  -18.0447
            10  O7a O    14.8557  -15.9601
            11  C1y C    17.2435  -17.3619
            12  C1x C    18.4375  -18.0512
            13  C1z C    19.6499  -17.3512
            14  C1x C    19.6499  -15.9512
            15  C1y C    18.4560  -15.2619
            16  C1x C    17.2435  -15.9619
            17  C1a C    18.4559  -13.8602
            18  C1a C    19.6499  -18.7512
            19  C1a C    21.0499  -17.3512
BOND        20
            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     6   7 1
            8     5   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   11  16 1
            18   15  17 1
            19   13  18 1
            20   13  19 1


entry: D04451
name: --- - Testosterone enanthate - testosterone propionate - estradiol dipropionate mixt - Esjin (TN)
remark: Therapeutic category: 2481
comment:
Mixture of Testosterone enanthate [DR:D00958], Testosterone propionate [DR:D00959] and Estradiol dipropionate [DR:D01617]


entry: D04452
name: --- - Hoquizil hydrochloride (USAN)
formula: C19H26N4O5. HCl
activity: Bronchodilator
kcf:
ATOM        29
            1   C8y C    15.1200  -17.8500
            2   C8y C    15.1200  -19.2500
            3   C8x C    13.9300  -19.9500
            4   C8y C    12.6700  -19.2500
            5   C8y C    12.6700  -17.8500
            6   C8x C    13.9300  -17.1500
            7   C8y C    11.4800  -19.9500
            8   N5x N    10.2900  -19.2500
            9   C8x C    10.2900  -17.8500
            10  N5x N    11.4800  -17.1500
            11  O2a O    16.3100  -17.1500
            12  C1a C    17.5700  -17.8500
            13  C1a C    17.5700  -19.2500
            14  O2a O    16.3100  -19.9500
            15  N1y N    11.4800  -21.3500
            16  C1x C    10.2676  -22.0500
            17  C1x C    10.2676  -23.4500
            18  N1y N    11.4800  -24.1500
            19  C1x C    12.6924  -23.4500
            20  C1x C    12.6924  -22.0500
            21  C7a C    11.4800  -25.5500
            22  O7a O    10.2676  -26.2500
            23  O7a O    12.6924  -26.2500
            24  C1b C    13.8879  -25.5596
            25  C1d C    15.0753  -26.2451
            26  C1a C    16.2708  -26.9353
            27  C1a C    15.7666  -25.0473
            28  O1a O    14.3671  -27.4721
            29  X   Cl   20.0200  -23.2400
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 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13   11  12 1
            14   13  14 1
            15    2  14 1
            16    7  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   15  20 1
            23   18  21 1
            24   21  22 2
            25   21  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   25  27 1
            30   25  28 1


entry: D04453
name: --- - Testosterone enanthate - Testosterone propionate - estradiol valerate mixt - Bothermon (TN)
remark: Therapeutic category: 2481
comment:
Mixture of Testosterone enanthate [DR:D00958], Testosterone propionate [DR:D00959] and Estradiol valerate [DR:D01413]


entry: D04455
activity: Spreading agent
name:
--- 
- Hyaluronidase (USP)
- Hyaluronidase (Recombinant human)
- HYO 6A
- Amphadase (TN)
- Hylenex (recombinaut) (TN)


entry: D04467
name: --- - Hydrocortisone hemisuccinate (USP)
formula: C25H34O8. H2O
activity: Adrenocortical steroid
kcf:
ATOM        34
            1   O0  O    37.2493  -16.5256
            2   C1x C    24.8500  -16.7300
            3   C5x C    24.8500  -18.1300
            4   C2x C    26.0400  -18.8300
            5   C2y C    27.2300  -18.1300
            6   C1z C    27.2300  -16.7300
            7   C1x C    26.0400  -16.0300
            8   C1x C    28.4200  -18.8300
            9   C1x C    29.6800  -18.1300
            10  C1y C    29.6800  -16.7300
            11  C1y C    28.4200  -16.0300
            12  C1y C    30.8700  -16.0300
            13  C1z C    30.8700  -14.6300
            14  C1x C    29.6800  -13.9300
            15  C1y C    28.4200  -14.6300
            16  C1x C    32.2000  -16.4500
            17  C1x C    32.9700  -15.3300
            18  C1z C    32.2000  -14.2100
            19  O5x O    23.6600  -18.8300
            20  C1a C    27.2300  -15.3300
            21  O1a O    27.2300  -13.9300
            22  C1a C    30.8700  -13.2300
            23  C5a C    32.2000  -12.4600
            24  C1b C    33.3900  -11.7600
            25  O5a O    31.0100  -11.7600
            26  O7a O    34.5800  -12.4600
            27  O1a O    33.5300  -13.8600
            28  C7a C    35.7700  -11.7600
            29  C1b C    36.9600  -12.4600
            30  O7a O    35.7700  -10.3600
            31  C1b C    38.1500  -11.7600
            32  C6a C    39.3400  -12.4600
            33  O6a O    40.5581  -11.7699
            34  O6a O    39.3286  -13.8600
BOND        36
            1     2   3 1
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 1
            6     2   7 1
            7     5   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    6  11 1
            12   10  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   11  15 1
            17   12  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21    3  19 2
            22    6  20 1 #Up
            23   15  21 1 #Up
            24   13  22 1 #Up
            25   23  24 1
            26   23  25 2
            27   24  26 1
            28   18  23 1 #Up
            29   18  27 1 #Down
            30   26  28 1
            31   28  29 1
            32   28  30 2
            33   29  31 1
            34   31  32 1
            35   32  33 1
            36   32  34 2


entry: D04472
remark: Therapeutic category: 2489
name:
--- 
- Pregnenolone - androstenedione - testosterone - estrone - dried thyroide mixt
- Metharmon-F (TN)

comment:
Mixture of Pregnenolone [DR:D00143], Androstenedione [DR:D00051], Testosterone [DR:D00075], Estrone [DR:D00067] and Dried thyroide [DR:D01012]


entry: D04473
name: --- - Hydroxyamphetamine hydrobromide (USP) - Paredrine (TN)
formula: C9H13NO. HBr
activity: Adrenergic [ophthalmic]
kcf:
ATOM        12
            1   C8x C    13.7900  -16.8000
            2   C8y C    13.7900  -18.2000
            3   C8x C    15.0024  -18.9000
            4   C8x C    16.2149  -18.2000
            5   C8y C    16.2149  -16.8000
            6   C8x C    15.0024  -16.1000
            7   O1a O    12.5776  -18.9000
            8   C1b C    17.4460  -16.0890
            9   C1c C    18.6512  -16.7847
            10  C1a C    19.8335  -16.1019
            11  N1a N    18.6516  -18.1996
            12  X   Br   23.1700  -18.2700
BOND        11
            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     2   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 1


entry: D04475
formula: C256H381N65O79S6
activity: Antidiabetic
remark: Therapeutic category: 2492
name:
--- 
- Insulin aspart (genetical recombination) (JAN)
- Insulin aspart (USAN)
- Insulin X 14
- NovoRapid (TN)


entry: D04476
name: --- - Hydroxyphenamate (USAN)
formula: C11H15NO3
activity: Tranquilizer [minor]
kcf:
ATOM        15
            1   C8x C    11.2700  -16.9400
            2   C8x C    11.2700  -18.3400
            3   C8x C    12.4824  -19.0400
            4   C8x C    13.6949  -18.3400
            5   C8y C    13.6949  -16.9400
            6   C8x C    12.4824  -16.2400
            7   C1d C    14.9260  -16.2290
            8   C1b C    16.1312  -16.9247
            9   C1b C    14.9257  -14.8401
            10  O1a O    14.9260  -17.6290
            11  C1a C    16.1262  -14.1466
            12  O7a O    17.3135  -16.2419
            13  C7a C    18.5075  -16.9312
            14  N1a N    19.6954  -16.2452
            15  O7a O    18.5077  -18.3397
BOND        15
            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     5   7 1
            8     7   8 1
            9     7   9 1
            10    7  10 1
            11    9  11 1
            12    8  12 1
            13   12  13 1
            14   13  14 1
            15   13  15 2


entry: D04479
name: --- - Hyoscyamine hydrobromide (USP)
formula: C17H23NO3. HBr
activity: Anticholinergic
comment: Component of Pyridium plus (TN)
kcf:
ATOM        22
            1   C1x C    20.5572  -18.9601
            2   C1x C    20.8747  -17.7725
            3   C1y C    21.7506  -18.6484
            4   C1y C    22.0622  -17.4551
            5   N1y N    20.8218  -16.1559
            6   C1x C    23.6201  -18.6542
            7   C1x C    23.3614  -17.4609
            8   C1a C    20.7695  -14.7862
            9   C1y C    24.6429  -19.2010
            10  O7a O    25.6951  -20.1239
            11  C7a C    26.9238  -20.1181
            12  C1c C    27.5293  -19.0482
            13  O7a O    27.5116  -21.1939
            14  C8y C    28.7697  -19.0422
            15  C1b C    26.9120  -17.9841
            16  C8x C    29.3868  -20.1122
            17  C8x C    29.3752  -17.9723
            18  O1a O    27.5234  -16.9143
            19  C8x C    30.6214  -20.1064
            20  C8x C    30.6037  -17.9665
            21  C8x C    31.2269  -19.0364
            22  X   Br   34.0900  -19.1100
BOND        23
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     6   9 1
            9     9  10 1 #Down
            10   10  11 1
            11   11  12 1
            12   11  13 2
            13   12  14 1
            14   12  15 1 #Down
            15   14  16 2
            16   14  17 1
            17   15  18 1
            18   16  19 1
            19   17  20 2
            20   19  21 2
            21    4   5 1
            22    7   9 1
            23   20  21 1


entry: D04480
name: --- - L-Glutamic acid - L-alanine - glycine mixt - Paraprost (TN)
formula: C5H9NO4. C3H7NO2. C2H5NO2
remark: Therapeutic category: 2519
comment: Mixture of L-Glutamic acid [DR:D00007], L-Alanine [DR:D00012] and Glycine [DR:D00011]
kcf:
ATOM        21
            1   O6a O    27.7903  -15.7504
            2   N1a N    30.2152  -17.1505
            3   C1b C    30.2152  -15.7504
            4   C6a C    29.0027  -15.0504
            5   O6a O    29.0027  -13.6506
            6   O6a O    20.5107  -15.8911
            7   C6a C    21.7232  -15.1910
            8   C1c C    22.9358  -15.8911
            9   C1a C    24.1484  -15.1910
            10  O6a O    21.7232  -13.7912
            11  N1a N    22.9358  -17.2911
            12  O6a O    10.2907  -15.8204
            13  C1c C    12.7157  -15.8204
            14  C6a C    11.5031  -15.1204
            15  C1b C    15.1406  -15.8204
            16  C1b C    13.9281  -15.1204
            17  O6a O    17.5656  -15.8204
            18  C6a C    16.3531  -15.1204
            19  O6a O    11.5031  -13.7206
            20  O6a O    16.3531  -13.7207
            21  N1a N    12.7157  -17.2203
BOND        18
            1     2   3 1
            2     3   4 1
            3     1   4 1
            4     4   5 2
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     7  10 2
            9     8  11 1 #Down
            10   13  14 1
            11   12  14 1
            12   15  16 1
            13   13  16 1
            14   17  18 1
            15   15  18 1
            16   14  19 2
            17   18  20 2
            18   13  21 1 #Down


entry: D04485
name: --- - Ibafloxacin (USAN)
formula: C15H14FNO3
activity: Antibacterial
kcf:
ATOM        20
            1   C8y C    10.9900  -14.4200
            2   C8y C    10.9900  -15.8200
            3   C8x C    12.2024  -16.5200
            4   C8y C    13.4149  -15.8200
            5   C8y C    13.4149  -14.4200
            6   C8y C    12.2024  -13.7200
            7   C8y C    14.6273  -16.5200
            8   C8y C    15.8397  -15.8200
            9   C8x C    15.8397  -14.4200
            10  N4y N    14.6273  -13.7200
            11  C1y C    14.6273  -12.3200
            12  C1x C    13.4149  -11.6200
            13  C1x C    12.2024  -12.3200
            14  C1a C    15.8418  -11.6188
            15  C1a C     9.7776  -13.7200
            16  X   F     9.7776  -16.5200
            17  O5x O    14.6273  -17.9200
            18  C6a C    17.0373  -16.5115
            19  O6a O    18.2256  -15.8255
            20  O6a O    17.0374  -17.9197
BOND        22
            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 2
            10    9  10 1
            11    5  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    6  13 1
            16   11  14 1
            17    1  15 1
            18    2  16 1
            19    7  17 2
            20    8  18 1
            21   18  19 1
            22   18  20 2


entry: D04486
name: --- - Ibandronate sodium (USAN) - Ibandronate sodium monohydrate - Boniva (TN)
formula: C9H22NO7P2. Na. H2O
activity: Bone resorption inhibitor; Antihypercalcemic
kcf:
ATOM        21
            1   P1b P    38.0708  -27.0852
            2   O3b O    38.0708  -25.6793
            3   O1c O    36.6649  -27.0852
            4   O1c O    38.0708  -28.4911
            5   C1d C    39.4766  -27.0852
            6   P1b P    40.8825  -27.0852
            7   C1b C    39.4766  -25.6793
            8   O1a O    39.4766  -28.4911
            9   O0  O    42.2884  -27.0852 #-
            10  O3b O    40.8825  -25.6793
            11  O1c O    40.8825  -28.4911
            12  C1b C    40.6942  -24.9763
            13  N1c N    40.6943  -23.5706
            14  C1b C    41.8949  -22.8773
            15  C1a C    39.4598  -22.8577
            16  C1b C    43.0870  -23.5656
            17  C1b C    44.2834  -22.8747
            18  C1b C    45.4777  -23.5643
            19  C1a C    46.6730  -22.8741
            20  Z   Na   44.6082  -27.0149 #+
            21  O0  O    51.6600  -26.3200
BOND        18
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     5   6 1
            6     5   7 1
            7     5   8 1
            8     6   9 1
            9     6  10 2
            10    6  11 1
            11    7  12 1
            12   12  13 1
            13   13  14 1
            14   13  15 1
            15   14  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1


entry: D04488
name: --- - Ibopamine (USAN)
formula: C17H25NO4
activity: Dopaminergic agent [peripheral]
kcf:
ATOM        22
            1   C8y C    25.9679  -17.9436
            2   C8y C    27.1704  -17.2500
            3   C8x C    25.9679  -19.3254
            4   O7a O    24.7712  -17.2500
            5   C8x C    28.3613  -17.9436
            6   O7a O    27.1704  -15.8682
            7   C8y C    27.1704  -20.0192
            8   C7a C    23.5744  -17.9436
            9   C8x C    28.3613  -19.3254
            10  C7a C    28.3728  -15.1803
            11  C1b C    27.1704  -21.4009
            12  C1c C    22.3778  -17.2500
            13  O7a O    23.5744  -19.3254
            14  C1c C    29.5696  -15.8741
            15  O7a O    28.3728  -13.7928
            16  C1b C    28.3728  -22.0889
            17  N1b N    29.5696  -21.3952
            18  C1a C    30.8126  -22.1814
            19  C1a C    21.1937  -17.9306
            20  C1a C    22.3799  -15.8201
            21  C1a C    30.7541  -15.1930
            22  C1a C    29.5674  -17.2897
BOND        22
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    7  11 1
            11    8  12 1
            12    8  13 2
            13   10  14 1
            14   10  15 2
            15   11  16 1
            16   16  17 1
            17   17  18 1
            18    7   9 2
            19   12  19 1
            20   12  20 1
            21   14  21 1
            22   14  22 1


entry: D04489
activity: Antineoplastic [monoclonal antibody]
name:
--- 
- Ibritumomab tiuxetan (genetical recombination) (JAN)
- Ibritumomab tiuxetan (USAN)
- Zevalin (TN)


entry: D04490
name: --- - Ibuprofen aluminum (USAN)
formula: C26H35AlO5
activity: Anti-inflammatory
kcf:
ATOM        32
            1   O7a O    27.5800   -8.1200
            2   C7a C    26.3900   -8.8200
            3   C1c C    25.2000   -8.1200
            4   O7a O    26.3900  -10.2200
            5   C8y C    24.0100   -8.8200
            6   C8x C    22.7500   -8.1200
            7   C8x C    21.5600   -8.8200
            8   C8y C    21.5600  -10.2200
            9   C8x C    22.7500  -10.9200
            10  C8x C    24.0100  -10.2200
            11  C1b C    20.3700  -10.9200
            12  C1c C    19.1100  -10.2200
            13  C1a C    17.9200  -10.9200
            14  C1a C    19.1100   -8.8200
            15  C1a C    25.2000   -6.7200
            16  Z   Al   28.7981   -8.8101
            17  O7a O    30.2400   -8.1900
            18  C7a C    31.4300   -8.8900
            19  C1c C    32.6200   -8.1900
            20  O7a O    31.4300  -10.2900
            21  C8y C    33.8100   -8.8900
            22  C8x C    35.0700   -8.1900
            23  C8x C    36.2600   -8.8900
            24  C8y C    36.2600  -10.2900
            25  C8x C    35.0700  -10.9900
            26  C8x C    33.8100  -10.2900
            27  C1b C    37.4500  -10.9900
            28  C1c C    38.7100  -10.2900
            29  C1a C    39.9000  -10.9900
            30  C1a C    38.7100   -8.8900
            31  C1a C    32.6200   -6.7900
            32  O1a O    28.7912  -10.2191
BOND        33
            1     2   4 2
            2     3   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     8   9 1
            7     9  10 2
            8    10   5 1
            9     8  11 1
            10    1   2 1
            11   11  12 1
            12   12  13 1
            13    2   3 1
            14   12  14 1
            15    3  15 1
            16    1  16 1
            17   18  20 2
            18   19  21 1
            19   21  22 2
            20   22  23 1
            21   23  24 2
            22   24  25 1
            23   25  26 2
            24   26  21 1
            25   24  27 1
            26   17  18 1
            27   27  28 1
            28   28  29 1
            29   18  19 1
            30   28  30 1
            31   19  31 1
            32   16  17 1
            33   16  32 1


entry: D04491
name: --- - Ibutamoren mesylate (USAN)
formula: C27H36N4O5S. CH4SO3
activity: Growth hormone releasing factor
kcf:
ATOM        42
            1   C8x C     8.3300  -15.7500
            2   C8x C     8.3300  -17.1500
            3   C8x C     9.5424  -17.8500
            4   C8y C    10.7549  -17.1500
            5   C8y C    10.7549  -15.7500
            6   C8x C     9.5424  -15.0500
            7   N1y N    12.0864  -17.5826
            8   C1x C    12.9093  -16.4500
            9   C1z C    12.0864  -15.3174
            10  S4a S    12.2375  -18.9794
            11  C1a C    13.6169  -18.9926
            12  O3c O    10.8375  -18.9794
            13  O3c O    12.2375  -20.3794
            14  C1x C    13.4387  -14.9550
            15  C1x C    13.8010  -13.6027
            16  N1y N    12.8111  -12.6128
            17  C1x C    11.4588  -12.9751
            18  C1x C    11.0964  -14.3274
            19  C5a C    13.1766  -11.2488
            20  O5a O    14.5081  -10.8923
            21  C1c C    12.1892  -10.2613
            22  C1b C    10.8213  -10.6274
            23  N1b N    12.5439   -8.9381
            24  O2a O     9.8524   -9.6577
            25  C1b C     8.5158  -10.0153
            26  C8y C     7.5359   -9.0344
            27  C8x C     7.9015   -7.6723
            28  C8x C     6.9120   -6.6819
            29  C8x C     5.5595   -7.0437
            30  C8x C     5.1940   -8.4058
            31  C8x C     6.1835   -9.3961
            32  C5a C    13.8778   -8.5812
            33  O5a O    14.8728   -9.5766
            34  C1d C    14.2318   -7.2603
            35  N1a N    14.5878   -5.9319
            36  C1a C    15.5684   -7.6188
            37  C1a C    12.8644   -6.8935
            38  S4a S    18.9000  -15.3300
            39  O3c O    18.9000  -13.9300
            40  O3c O    18.9000  -16.7300
            41  C1a C    17.5000  -15.3300
            42  O1d O    20.3000  -15.3300
BOND        44
            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    7  10 1
            12   10  11 1
            13   10  12 2
            14   10  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   16  19 1
            22   19  20 2
            23   19  21 1
            24   21  22 1
            25   21  23 1 #Up
            26   22  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   26  31 1
            35   23  32 1
            36   32  33 2
            37   32  34 1
            38   34  35 1
            39   34  36 1
            40   34  37 1
            41   38  39 2
            42   38  40 2
            43   38  41 1
            44   38  42 1


entry: D04494
name: --- - Icotidine (USAN)
formula: C21H25N5O2
activity: Antagonist [to histamine H2 and H1 receptors]
kcf:
ATOM        28
            1   C8x C    12.3200   -8.8200
            2   C8x C    12.3200  -10.2200
            3   C8y C    13.5324  -10.9200
            4   C8y C    14.7449  -10.2200
            5   N5x N    14.7449   -8.8200
            6   C8x C    13.5324   -8.1200
            7   O2a O    13.5324  -12.3198
            8   C1a C    12.3032  -13.0297
            9   C1b C    15.9760  -10.9310
            10  C1b C    17.1812  -10.2353
            11  C1b C    18.3635  -10.9181
            12  C1b C    19.5575  -10.2288
            13  N1b N    20.7454  -10.9148
            14  C8y C    21.9365  -10.2271
            15  N5x N    23.1259  -10.9139
            16  C8y C    24.3384  -10.2140
            17  C8y C    24.3385   -8.8140
            18  C8x C    23.1491   -8.1272
            19  N4x N    21.9366   -8.8271
            20  O5x O    25.5695  -10.9250
            21  C1b C    25.5644   -8.1062
            22  C8y C    26.7719   -8.8034
            23  C8x C    26.7723  -10.2196
            24  C8x C    27.9849  -10.9193
            25  C8y C    29.1971  -10.2190
            26  N5x N    29.1968   -8.8027
            27  C8x C    27.9841   -8.1031
            28  C1a C    30.4048  -10.9159
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     3   7 1
            8     7   8 1
            9     4   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   14  19 1
            21   16  20 2
            22   17  21 1
            23   22  23 2
            24   23  24 1
            25   24  25 2
            26   25  26 1
            27   26  27 2
            28   22  27 1
            29   21  22 1
            30   25  28 1


entry: D04496
name: --- - Idoxifene (USAN)
formula: C28H30INO
activity:
Antineoplastic; Hormone [replacement therapy, estrogen receptor antagonist]; Osteoporasis treatment and prevention

kcf:
ATOM        31
            1   C8x C     8.6100  -18.2000
            2   C8y C     8.6100  -19.6000
            3   C8x C     9.8224  -20.3000
            4   C8x C    11.0349  -19.6000
            5   C8y C    11.0349  -18.2000
            6   C8x C     9.8224  -17.5000
            7   C8x C    13.4597  -19.6000
            8   C8y C    13.4597  -18.2000
            9   C2c C    12.2473  -17.5000
            10  C8x C    14.6722  -20.3000
            11  C8y C    15.8846  -19.6000
            12  C8x C    15.8846  -18.2000
            13  C8x C    14.6722  -17.5000
            14  C2c C    12.2473  -16.1000
            15  C8y C    13.4618  -15.3988
            16  C1b C    11.0369  -15.4012
            17  X   I     7.3976  -20.3000
            18  C1a C     9.8424  -16.0910
            19  C8x C    14.6583  -16.0898
            20  C8x C    15.8708  -15.3899
            21  C8x C    15.8709  -13.9899
            22  C8x C    14.6744  -13.2990
            23  C8x C    13.4619  -13.9988
            24  O2a O    17.1011  -20.3023
            25  C1b C    18.2986  -19.6108
            26  C1b C    19.4849  -20.2957
            27  N1y N    20.6767  -19.6074
            28  C1x C    21.9307  -20.1656
            29  C1x C    22.8490  -19.1455
            30  C1x C    22.1627  -17.9568
            31  C1x C    20.8201  -18.2423
BOND        34
            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 2
            16   14  15 1
            17   14  16 1
            18    2  17 1
            19   16  18 1
            20   15  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   15  23 1
            26   11  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   27  31 1


entry: D04498
name: --- - Idronoxil (USAN)
formula: C15H12O3
activity:
Antineoplastic which acts as an antiproliferative, topoisomerase II inhibitor; 5alpha reductase inhibitor

kcf:
ATOM        18
            1   C8y C    10.5700  -18.2700
            2   C8x C    10.5700  -19.6700
            3   C8x C    11.7824  -20.3700
            4   C8y C    12.9949  -19.6700
            5   C8y C    12.9949  -18.2700
            6   C8x C    11.7824  -17.5700
            7   C2x C    14.2073  -20.3700
            8   C2y C    15.4197  -19.6700
            9   C1x C    15.4197  -18.2700
            10  O2x O    14.2073  -17.5700
            11  O1a O     9.3576  -17.5700
            12  C8y C    16.6173  -20.3615
            13  C8x C    16.6173  -21.7697
            14  C8x C    17.8298  -22.4697
            15  C8y C    19.0422  -21.7697
            16  C8x C    19.0422  -20.3615
            17  C8x C    17.8297  -19.6615
            18  O1a O    20.2531  -22.4688
BOND        20
            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 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    1  11 1
            13    8  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   15  18 1


entry: D04499
name: --- - Idursulfase (USAN) - Elaprase (TN)
activity:
Treatment of Hunter Syndrome [enzyme that degrades the glycosaminoglycans heparan sulfate and dermatan sulfate]


entry: D04502
name: --- - Igmesine hydrochloride (USAN)
formula: C23H29N. HCl
activity: Antidepressant [sigma receptor ligand]
comment: withdrawal drug
kcf:
ATOM        25
            1   C8x C    14.5600  -12.3900
            2   C8x C    14.5600  -13.7900
            3   C8x C    15.7500  -14.4900
            4   C8x C    17.0100  -13.7900
            5   C8y C    17.0100  -12.3900
            6   C8x C    15.7500  -11.6900
            7   C1d C    18.2000  -11.6900
            8   C1b C    19.3900  -10.9900
            9   N1c N    17.5000  -10.5000
            10  C1b C    18.9000  -12.8800
            11  C2b C    20.5800  -11.6900
            12  C1a C    16.1000  -10.5000
            13  C1b C    18.2000   -9.3100
            14  C1a C    20.3000  -12.8800
            15  C2b C    21.7700  -10.9900
            16  C8y C    22.9600  -11.6900
            17  C1y C    19.6000   -9.3100
            18  C1x C    20.8600  -10.0100
            19  C1x C    20.8600   -8.6100
            20  C8x C    22.9486  -13.0900
            21  C8x C    24.1553  -13.7998
            22  C8x C    25.4434  -13.1097
            23  C8x C    25.3848  -11.7097
            24  C8x C    24.1781  -10.9999
            25  X   Cl   28.5600  -12.5300
BOND        26
            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     5   7 1
            8     7   8 1
            9     7   9 1
            10    7  10 1
            11    8  11 1
            12    9  12 1
            13    9  13 1
            14   10  14 1
            15   11  15 2
            16   15  16 1
            17   13  17 1
            18   17  18 1
            19   18  19 1
            20   19  17 1
            21   16  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   16  24 1


entry: D04503
name: --- - Ilepcimide (USAN)
formula: C15H17NO3
activity: Anticonvulsant
kcf:
ATOM        19
            1   C8x C    19.2500  -15.4000
            2   C8y C    19.2500  -14.0000
            3   C8x C    18.0600  -13.3000
            4   C8y C    16.8000  -14.0000
            5   C8y C    16.8000  -15.4000
            6   C8x C    18.0600  -16.1000
            7   O2x O    15.4700  -13.5800
            8   C1x C    14.7000  -14.7000
            9   O2x O    15.4700  -15.8200
            10  C2b C    20.4653  -13.3049
            11  C2b C    21.6537  -13.9977
            12  C5a C    22.8501  -13.3135
            13  N1y N    24.0313  -14.0019
            14  O5a O    22.7862  -11.9005
            15  C1x C    24.0255  -15.3999
            16  C1x C    25.2351  -16.1049
            17  C1x C    26.4504  -15.4100
            18  C1x C    26.4562  -14.0120
            19  C1x C    25.2466  -13.3070
BOND        21
            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    2  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 1
            15   12  14 2
            16   13  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   13  19 1


entry: D04504
name: --- - Ilmofosine (USAN)
formula: C26H56NO5PS
activity: Antineoplastic
kcf:
ATOM        34
            1   C1c C    18.5545  -17.1676
            2   C1b C    17.2947  -17.8675
            3   C1b C    19.7444  -17.8675
            4   O2b O    16.1048  -17.2375
            5   S2a S    21.0042  -17.1676
            6   P1b P    14.9150  -17.9376
            7   C1b C    22.1941  -17.8675
            8   O2b O    13.7251  -17.2375
            9   O0  O    14.9150  -16.5377 #-
            10  O3b O    14.9150  -19.3374
            11  C1b C    23.3839  -17.0976
            12  C1b C    12.4653  -17.9376
            13  C1b C    24.6437  -17.7975
            14  C1b C    11.2754  -17.2375
            15  C1b C    25.8335  -17.0976
            16  N1d N    10.0855  -17.9376 #+
            17  C1b C    27.0935  -17.7975
            18  C1b C    28.2833  -17.0976
            19  C1b C    29.4732  -17.7975
            20  C1b C    30.7330  -17.0276
            21  C1b C    31.9229  -17.7275
            22  C1b C    33.1127  -17.0276
            23  C1b C    34.3725  -17.7275
            24  C1b C    35.5624  -17.0276
            25  C1a C     8.8849  -17.2574
            26  C1a C    10.0969  -19.3557
            27  C1a C    10.0855  -16.5349
            28  C1b C    18.5719  -15.7790
            29  O2a O    19.8085  -15.0854
            30  C1a C    20.9909  -15.7881
            31  C1b C    36.7880  -17.7221
            32  C1b C    37.9628  -17.0311
            33  C1b C    39.1749  -17.7180
            34  C1a C    40.4037  -16.9951
BOND        33
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 1
            8     6   9 1
            9     6  10 2
            10    7  11 1
            11    8  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  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   23  24 1
            24   16  25 1
            25   16  26 1
            26   16  27 1
            27    1  28 1
            28   28  29 1
            29   29  30 1
            30   24  31 1
            31   31  32 1
            32   32  33 1
            33   33  34 1


entry: D04506
name: --- - Ilonidap (USAN)
formula: C14H8ClFN2O3S
activity: Anti-inflammatory
kcf:
ATOM        22
            1   C8y C    38.3833  -25.2766
            2   C8y C    38.3833  -26.6704
            3   C8x C    39.5904  -27.3673
            4   C8y C    40.7975  -26.6704
            5   C8y C    40.7975  -25.2766
            6   C8x C    39.5904  -24.5797
            7   N1y N    42.1231  -27.1011
            8   C5x C    42.9424  -25.9735
            9   C2y C    42.1231  -24.8459
            10  O5x O    44.3070  -25.9735
            11  C5a C    42.5523  -28.4221
            12  O5a O    43.9256  -28.7140
            13  N1a N    41.6300  -29.4466
            14  C2c C    42.5523  -23.5250
            15  O1a O    43.9256  -23.2331
            16  X   F    37.1763  -24.5797
            17  X   Cl   37.1763  -27.3673
            18  C8y C    41.6165  -22.4857
            19  S2x S    41.9117  -21.0947
            20  C8x C    40.6800  -20.3841
            21  C8x C    39.6236  -21.3359
            22  C8x C    40.2024  -22.6348
BOND        24
            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 2
            12    7  11 1
            13   11  12 2
            14   11  13 1
            15    9  14 2
            16   14  15 1
            17    1  16 1
            18    2  17 1
            19   14  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   18  22 2


entry: D04507
name: --- - Imafen hydrochloride (USAN)
formula: C11H13N3. HCl
activity: Antidepressant
kcf:
ATOM        15
            1   C8x C    13.7200  -17.0800
            2   C8x C    13.7200  -18.4800
            3   C8x C    14.9324  -19.1800
            4   C8x C    16.1449  -18.4800
            5   C8y C    16.1449  -17.0800
            6   C8x C    14.9324  -16.3800
            7   C1y C    17.3760  -16.3690
            8   N1y N    18.6456  -16.9342
            9   C2y C    19.5755  -15.9013
            10  N2x N    18.8806  -14.6978
            11  C1x C    17.5212  -14.9868
            12  C1x C    19.3456  -18.1466
            13  C1x C    20.7151  -17.8555
            14  N1x N    20.8614  -16.4632
            15  X   Cl   23.3800  -18.7600
BOND        16
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    7  11 1
            13    8  12 1
            14   12  13 1
            15   13  14 1
            16   14   9 1


entry: D04508
name: --- - Imazodan hydrochloride (USAN)
formula: C13H12N4O. HCl
activity: Cardiotonic
kcf:
ATOM        19
            1   C8x C    21.9800  -16.7300
            2   C8y C    21.9800  -18.1300
            3   C8x C    23.1924  -18.8300
            4   C8x C    24.4049  -18.1300
            5   C8y C    24.4049  -16.7300
            6   C8x C    23.1924  -16.0300
            7   N4y N    20.7676  -18.8300
            8   C2y C    25.6360  -16.0190
            9   C8x C    19.5074  -18.2688
            10  N5x N    18.5843  -19.2939
            11  C8x C    19.2739  -20.4886
            12  C8x C    20.6232  -20.2019
            13  C1x C    26.8412  -16.7147
            14  C1x C    28.0535  -16.0146
            15  C5x C    28.0535  -14.6146
            16  N1x N    26.8483  -13.9189
            17  N2x N    25.6359  -14.6190
            18  O5x O    29.2714  -13.9112
            19  X   Cl   28.1400  -18.8300
BOND        20
            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     2   7 1
            8     5   8 1
            9     7   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14    8  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19    8  17 2
            20   15  18 2


entry: D04509
name: --- - Imcarbofos (USAN)
formula: C17H30N4O7P2S2
activity: Anthelmintic [veterinary]
kcf:
ATOM        32
            1   C8y C    22.8024  -16.9067
            2   C8y C    22.8024  -18.3152
            3   C8x C    24.0222  -19.0194
            4   C8x C    25.2420  -18.3152
            5   C8y C    25.2420  -16.9067
            6   C8x C    24.0222  -16.2024
            7   N1b N    26.4806  -16.1914
            8   N1b N    21.5826  -19.0194
            9   C2c C    20.3799  -18.3248
            10  C2c C    27.6931  -16.8913
            11  N1b N    28.8826  -16.2043
            12  S0  S    27.6935  -18.3148
            13  N1b N    19.1853  -19.0145
            14  S0  S    20.3798  -16.9070
            15  O2a O    21.5826  -16.2024
            16  C1a C    21.5782  -14.7942
            17  P1b P    17.9868  -18.3223
            18  O2b O    16.7901  -19.0132
            19  O3b O    19.2066  -17.6181
            20  C1b C    15.5928  -18.3217
            21  C1a C    14.3955  -19.0129
            22  O2b O    17.2864  -17.1089
            23  C1b C    15.9007  -17.1088
            24  C1a C    15.2004  -15.8959
            25  P1b P    30.0838  -16.8978
            26  O2b O    31.2789  -16.2076
            27  C1b C    32.4773  -16.8995
            28  O3b O    28.8640  -17.6021
            29  O2b O    31.3036  -17.6021
            30  C1b C    31.3147  -19.0194
            31  C1a C    32.5468  -19.7180
            32  C1a C    33.6739  -16.2085
BOND        32
            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     5   7 1
            8     2   8 1
            9     8   9 1
            10    7  10 1
            11   10  11 1
            12   10  12 2
            13    9  13 1
            14    9  14 2
            15    1  15 1
            16   15  16 1
            17   13  17 1
            18   17  18 1
            19   17  19 2
            20   18  20 1
            21   20  21 1
            22   17  22 1
            23   22  23 1
            24   23  24 1
            25   11  25 1
            26   25  26 1
            27   26  27 1
            28   25  28 2
            29   25  29 1
            30   29  30 1
            31   30  31 1
            32   27  32 1


entry: D04512
name: --- - Imidocarb hydrochloride (USAN)
formula: C19H20N6O. 2HCl
activity: Antiprotozoal [babesia]
kcf:
ATOM        28
            1   C8y C    13.2300  -17.1500
            2   C8x C    13.2300  -18.5500
            3   C8x C    14.4424  -19.2500
            4   C8x C    15.6549  -18.5500
            5   C8y C    15.6549  -17.1500
            6   C8x C    14.4424  -16.4500
            7   C2y C    12.0176  -16.4500
            8   N1x N    11.8715  -15.0602
            9   C1x C    10.5046  -14.7696
            10  C1x C     9.8058  -15.9798
            11  N2x N    10.7409  -17.0184
            12  N1b N    16.8860  -16.4390
            13  C5a C    18.0912  -17.1347
            14  N1b N    19.2735  -16.4519
            15  O5a O    18.0916  -18.5496
            16  C8y C    20.4675  -17.1412
            17  C8x C    20.4676  -18.5497
            18  C8x C    21.6801  -19.2496
            19  C8x C    22.8925  -18.5495
            20  C8y C    22.8923  -17.1409
            21  C8x C    21.6798  -16.4411
            22  C2y C    24.0990  -16.4441
            23  N2x N    25.3642  -17.0074
            24  C1x C    26.2910  -15.9782
            25  C1x C    25.5985  -14.7788
            26  N1x N    24.2438  -15.0667
            27  X   Cl   29.4700  -17.9200
            28  X   Cl   29.4700  -17.9200
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     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    7  11 2
            13    5  12 1
            14   12  13 1
            15   13  14 1
            16   13  15 2
            17   14  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24   20  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   22  26 1


entry: D04513
name: --- - Imidurea (NF)
formula: C11H16N8O8
activity: Antimicrobial
kcf:
ATOM        27
            1   C1y C    24.2085  -17.3832
            2   N1b N    25.4077  -16.6695
            3   C5x C    23.8165  -18.7286
            4   N1y N    23.0562  -16.5935
            5   C5a C    26.6243  -17.3715
            6   N1x N    22.4128  -18.7696
            7   O5x O    24.6706  -19.8400
            8   C5x C    21.9447  -17.4417
            9   N1b N    27.8294  -16.6695
            10  O5x O    20.5994  -17.0439
            11  O5a O    26.6269  -18.7597
            12  C1b C    23.0204  -15.1900
            13  O1a O    24.2216  -14.4551
            14  C1b C    29.0631  -17.3759
            15  N1b N    30.2700  -16.6732
            16  C5a C    31.4566  -17.3527
            17  N1b N    32.6434  -16.6616
            18  O5a O    31.4619  -18.7596
            19  C1y C    33.8400  -17.3468
            20  N1y N    33.9925  -18.7481
            21  C5x C    35.3724  -19.0360
            22  N1x N    36.0726  -17.8126
            23  C5x C    35.1255  -16.7687
            24  O5x O    35.4062  -15.4255
            25  O5x O    35.9442  -20.3077
            26  C1b C    32.9651  -19.6804
            27  O1a O    33.2596  -21.0397
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     8  10 2
            10    6   8 1
            11    5  11 2
            12    4  12 1
            13   12  13 1
            14    9  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   16  18 2
            19   17  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   19  23 1
            25   23  24 2
            26   21  25 2
            27   20  26 1
            28   26  27 1


entry: D04514
name: --- - Imiloxan hydrochloride (USAN)
formula: C14H16N2O2. HCl
activity: Antidepressant
kcf:
ATOM        19
            1   C8x C    12.3200  -17.8500
            2   C8x C    12.3200  -19.2500
            3   C8x C    13.5324  -19.9500
            4   C8y C    14.7449  -19.2500
            5   C8y C    14.7449  -17.8500
            6   C8x C    13.5324  -17.1500
            7   O2x O    15.9573  -19.9500
            8   C1x C    17.1697  -19.2500
            9   C1y C    17.1697  -17.8500
            10  O2x O    15.9573  -17.1500
            11  C1b C    18.3673  -17.1585
            12  C8y C    19.5556  -17.8445
            13  N5x N    19.7022  -19.2394
            14  C8x C    21.0741  -19.5309
            15  C8x C    21.7754  -18.3163
            16  N4y N    20.8368  -17.2740
            17  C1b C    21.1258  -15.9155
            18  C1a C    22.4776  -15.4767
            19  X   Cl   25.4800  -18.9000
BOND        20
            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 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   12  16 1
            19   16  17 1
            20   17  18 1


entry: D04517
name: --- - Impromidine hydrochloride (USAN)
formula: C14H23N7S. 3HCl
activity: Diagnostic aid [gastric secretion indicator]
kcf:
ATOM        25
            1   C8y C    17.8839  -17.6842
            2   C8y C    16.6084  -18.2401
            3   N5x N    17.7376  -16.2801
            4   C1b C    19.1009  -18.3806
            5   N4x N    15.6723  -17.2045
            6   C1a C    16.3099  -19.6092
            7   C8x C    16.3685  -15.9874
            8   S2a S    20.3122  -17.6842
            9   C1b C    21.5233  -18.3806
            10  C1b C    22.7344  -17.6842
            11  N1b N    23.9455  -18.3806
            12  C2c C    25.1626  -17.6842
            13  N2a N    25.1626  -16.2801
            14  N1b N    26.3737  -18.3806
            15  C1b C    27.5849  -17.6842
            16  C1b C    28.8035  -18.3905
            17  C1b C    29.9835  -17.7119
            18  C8y C    31.1763  -18.4033
            19  C8x C    31.3205  -19.7996
            20  N4x N    32.6930  -20.0938
            21  C8x C    33.3970  -18.8794
            22  N5x N    32.4596  -17.8347
            23  X   Cl   36.4700  -18.9700
            24  X   Cl   36.4700  -18.9700
            25  X   Cl   36.4700  -18.9700
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 2
            13   12  14 1
            14   14  15 1
            15    5   7 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 1
            22   21  22 2
            23   18  22 1


entry: D04519
name: --- - Incyclinide (USAN) - Metastat (TN)
formula: C19H17NO7
activity: Treatment of acne, rosacea, and acute respiratory distress syndrome
kcf:
ATOM        27
            1   C8x C     9.7300  -16.5900
            2   C8x C     9.7300  -17.9900
            3   C8y C    10.9424  -18.6900
            4   C8y C    12.1549  -17.9900
            5   C8y C    12.1549  -16.5900
            6   C8x C    10.9424  -15.8900
            7   C5x C    13.3673  -18.6900
            8   C2y C    14.5797  -17.9900
            9   C1y C    14.5797  -16.5900
            10  C1x C    13.3673  -15.8900
            11  C2y C    15.7922  -18.6900
            12  C1z C    17.0046  -17.9900
            13  C1y C    17.0046  -16.5900
            14  C1x C    15.7922  -15.8900
            15  C5x C    18.2170  -18.6900
            16  C2y C    19.4295  -17.9900
            17  C2y C    19.4295  -16.5900
            18  C1x C    18.2170  -15.8900
            19  O1a O    10.9424  -20.0898
            20  O5x O    13.3673  -20.0900
            21  O1a O    15.7922  -20.0897
            22  O5x O    18.2170  -20.0899
            23  O1a O    20.6646  -15.8766
            24  C5a C    20.6646  -18.7034
            25  N1a N    21.8719  -18.0066
            26  O5a O    20.6642  -20.0899
            27  O1a O    17.0046  -19.3900
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    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17   12  15 1
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   13  18 1
            22    3  19 1
            23    7  20 2
            24   11  21 1
            25   15  22 2
            26   17  23 1
            27   16  24 1
            28   24  25 1
            29   24  26 2
            30   12  27 1 #Down


entry: D04520
name: --- - Indacrinone (USAN)
formula: C18H14Cl2O4
activity: Antihypertensive; Diuretic
kcf:
ATOM        24
            1   C8y C    12.1800  -11.2700
            2   C8y C    12.1800  -12.6700
            3   C8x C    13.3924  -13.3700
            4   C8y C    14.6049  -12.6700
            5   C8y C    14.6049  -11.2700
            6   C8y C    13.3924  -10.5700
            7   C1x C    15.9364  -13.1026
            8   C1z C    16.7593  -11.9700
            9   C5x C    15.9364  -10.8374
            10  O5x O    16.3675   -9.5106
            11  X   Cl   13.3924   -9.1702
            12  X   Cl   10.9676  -10.5700
            13  O2a O    10.9676  -13.3700
            14  C1b C     9.7721  -12.6796
            15  C6a C     8.5847  -13.3651
            16  O6a O     7.3935  -12.6771
            17  O6a O     8.5845  -14.7698
            18  C1a C    17.7492  -12.9599
            19  C8y C    17.7492  -10.9801
            20  C8x C    19.1327  -11.3507
            21  C8x C    20.1227  -10.3607
            22  C8x C    19.7603   -9.0085
            23  C8x C    18.3768   -8.6378
            24  C8x C    17.3868   -9.6278
BOND        26
            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    9  10 2
            12    6  11 1
            13    1  12 1
            14    2  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 2
            19    8  18 1
            20    8  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1


entry: D04521
name: --- - Indecainide hydrochloride (USAN) - Decabid (TN)
formula: C20H24N2O. HCl
activity: Cardiac depressant [anti-arrhythmic]
kcf:
ATOM        24
            1   C8y C    18.0600  -16.2400
            2   C8y C    19.4600  -16.2400
            3   C8y C    19.8926  -14.9085
            4   C1z C    18.7600  -14.0856
            5   C8y C    17.6274  -14.9085
            6   C8x C    20.3968  -17.2804
            7   C8x C    21.7662  -16.9893
            8   C8x C    22.1988  -15.6578
            9   C8x C    21.2620  -14.6174
            10  C8x C    16.2580  -14.6174
            11  C8x C    15.3212  -15.6578
            12  C8x C    15.7538  -16.9893
            13  C8x C    17.1232  -17.2804
            14  C5a C    19.7499  -13.0957
            15  C1b C    17.7701  -13.0957
            16  N1a N    21.0916  -13.4551
            17  O5a O    19.3856  -11.7356
            18  C1b C    16.4284  -13.4551
            19  C1b C    15.4420  -12.4685
            20  N1b N    14.1179  -12.8231
            21  C1c C    13.1328  -11.8376
            22  C1a C    11.8077  -12.1924
            23  C1a C    13.4988  -10.4716
            24  X   Cl   25.6200  -15.9600
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     2   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    3   9 2
            11    5  10 2
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15    1  13 2
            16    4  14 1
            17    4  15 1
            18   14  16 1
            19   14  17 2
            20   15  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   21  23 1


entry: D04522
name: --- - Indisulam (USAN)
formula: C14H12ClN3O4S2
activity: Antineoplastic
kcf:
ATOM        24
            1   C8x C    22.8395  -17.0740
            2   C8y C    22.8336  -18.4310
            3   C8x C    24.0210  -16.4014
            4   C8x C    24.0035  -19.1154
            5   S4a S    21.6639  -19.1095
            6   C8y C    25.1908  -17.0857
            7   C8x C    25.1849  -18.4427
            8   S4a S    26.3723  -16.4131
            9   N1b N    27.6240  -15.5767
            10  C8y C    28.9139  -16.2122
            11  C8x C    28.9139  -17.6122
            12  C8x C    30.1263  -18.3122
            13  C8x C    31.3387  -17.6122
            14  C8y C    31.3387  -16.2122
            15  C8y C    30.1263  -15.5122
            16  C8y C    32.3791  -15.2754
            17  C8x C    31.8097  -13.9965
            18  N4x N    30.4174  -14.1428
            19  X   Cl   33.7747  -15.5725
            20  O3c O    27.0982  -17.5876
            21  O3c O    25.6265  -15.2065
            22  N1a N    20.4266  -19.8254
            23  O3c O    22.3569  -20.3065
            24  O3c O    20.9543  -17.8839
BOND        26
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 2
            7     6   8 1
            8     8   9 1
            9     6   7 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   10  15 1
            17   14  16 1
            18   16  17 2
            19   17  18 1
            20   15  18 1
            21   16  19 1
            22    8  20 2
            23    8  21 2
            24    5  22 1
            25    5  23 2
            26    5  24 2


entry: D04527
activity: Diagnostic aid [radionuclide cisternography]; Radioactive agent
remark: Therapeutic category: 4300
name:
--- 
- Indium In 111 pentetate (USP)
- Indium (111In) diethylenetriamine pentaacetate injection
- Indium DTPA In 111 (TN)


entry: D04529
name: --- - Indolidan (USAN)
formula: C14H15N3O2
activity: Cardiotonic
kcf:
ATOM        19
            1   C8y C    12.7400  -16.7300
            2   C8y C    12.7400  -15.3300
            3   C8x C    11.5500  -14.6300
            4   C8y C    10.2900  -15.3300
            5   C8x C    10.2900  -16.7300
            6   C8x C    11.5500  -17.4300
            7   N1x N    14.0700  -17.0800
            8   C5x C    14.8400  -15.8900
            9   C1z C    14.0000  -14.8400
            10  O5x O    16.2400  -15.8200
            11  C1a C    15.2124  -14.1400
            12  C1a C    13.3000  -13.6276
            13  C2y C     9.0834  -14.6200
            14  N2x N     9.0950  -13.2300
            15  N1x N     7.8884  -12.5199
            16  C5x C     6.6702  -13.2098
            17  C1x C     6.6586  -14.5998
            18  C1x C     7.8652  -15.3099
            19  O5x O     5.4578  -12.4961
BOND        21
            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 1
            10    9   2 1
            11    8  10 2
            12    9  11 1
            13    9  12 1
            14    4  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21   16  19 2


entry: D04530
name: --- - Indoprofen (USAN)
formula: C17H15NO3
activity: Analgesic; Anti-inflammatory
kcf:
ATOM        21
            1   C8x C     9.8700  -16.5200
            2   C8x C     9.8700  -17.9200
            3   C8x C    11.0824  -18.6200
            4   C8y C    12.2949  -17.9200
            5   C8y C    12.2949  -16.5200
            6   C8x C    11.0824  -15.8200
            7   C1x C    13.6264  -18.3526
            8   N1y N    14.4493  -17.2200
            9   C5x C    13.6264  -16.0874
            10  O5x O    14.0575  -14.7606
            11  C8y C    15.8200  -17.2200
            12  C8x C    16.5200  -18.4324
            13  C8x C    17.9200  -18.4324
            14  C8y C    18.6200  -17.2200
            15  C8x C    17.9200  -16.0076
            16  C8x C    16.5200  -16.0076
            17  C1c C    20.0200  -17.2200
            18  C1a C    20.7200  -18.4324
            19  C6a C    20.7200  -16.0076
            20  O6a O    22.1198  -16.0076
            21  O6a O    20.0296  -14.8121
BOND        23
            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    9  10 2
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   14  17 1
            20   17  18 1
            21   17  19 1
            22   19  20 1
            23   19  21 2


entry: D04531
name: --- - Indoramin (USAN)
formula: C22H25N3O
activity: Antihypertensive
kcf:
ATOM        26
            1   C8x C    13.0200  -20.5100
            2   C8x C    13.0200  -19.1100
            3   C8x C    14.2100  -18.4100
            4   C8y C    15.4700  -19.1100
            5   C8y C    15.4700  -20.5100
            6   C8x C    14.2100  -21.2100
            7   C8y C    16.8000  -18.6900
            8   C8x C    17.5700  -19.8100
            9   N4x N    16.8000  -20.9300
            10  C1b C    17.2200  -17.3600
            11  C1b C    18.6200  -17.0800
            12  N1y N    19.0400  -15.7500
            13  C1x C    20.4069  -15.4476
            14  C1x C    20.8285  -14.1126
            15  C1y C    19.8832  -13.0800
            16  C1x C    18.5162  -13.3824
            17  C1x C    18.0946  -14.7174
            18  N1b N    20.3016  -11.7550
            19  C5a C    21.6660  -11.4532
            20  C8y C    22.6400  -12.5175
            21  O5a O    22.0833  -10.1335
            22  C8x C    22.2123  -13.8723
            23  C8x C    23.1578  -14.9048
            24  C8x C    24.5247  -14.6023
            25  C8x C    24.9524  -13.2474
            26  C8x C    24.0070  -12.2149
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 2
            9     8   9 1
            10    5   9 1
            11    7  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   15  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 2
            24   20  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   20  26 1


entry: D04532
name: --- - Indoramin hydrochloride (USAN)
formula: C22H25N3O. HCl
activity: Antihypertensive
kcf:
ATOM        27
            1   C8x C    18.0523  -22.0378
            2   C8x C    18.0523  -20.6386
            3   C8x C    19.2416  -19.9391
            4   C8y C    20.5008  -20.6386
            5   C8y C    20.5008  -22.0378
            6   C8x C    19.2416  -22.7374
            7   C8y C    21.8300  -20.2189
            8   C8x C    22.5996  -21.3382
            9   N4x N    21.8300  -22.4576
            10  C1b C    22.2498  -18.8897
            11  C1b C    23.6489  -18.6098
            12  N1y N    24.0687  -17.2806
            13  C1x C    25.4348  -16.9784
            14  C1x C    25.8561  -15.6442
            15  C1y C    24.9114  -14.6122
            16  C1x C    23.5452  -14.9144
            17  C1x C    23.1238  -16.2486
            18  N1b N    25.3295  -13.2880
            19  C5a C    26.6931  -12.9864
            20  C8y C    27.6665  -14.0501
            21  O5a O    27.1102  -11.6675
            22  C8x C    27.2391  -15.4041
            23  C8x C    28.1840  -16.4359
            24  C8x C    29.5501  -16.1336
            25  C8x C    29.9776  -14.7795
            26  C8x C    29.0327  -13.7476
            27  X   Cl   27.3000  -20.4400
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 2
            9     8   9 1
            10    5   9 1
            11    7  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   15  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 2
            24   20  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   20  26 1


entry: D04533
name: --- - Indorenate hydrochloride (USAN)
formula: C13H16N2O3. HCl
activity: Antihypertensive
kcf:
ATOM        19
            1   C8x C    10.6400  -17.2900
            2   C8y C    10.6400  -15.8900
            3   C8x C    11.8300  -15.1900
            4   C8y C    13.0900  -15.8900
            5   C8y C    13.0900  -17.2900
            6   C8x C    11.8300  -17.9900
            7   C8y C    14.4200  -15.4700
            8   C8x C    15.1900  -16.5900
            9   N4x N    14.4200  -17.7100
            10  C1c C    14.8400  -14.1400
            11  O2a O     9.4500  -15.1900
            12  C1a C     8.2600  -15.8900
            13  C7a C    16.2069  -13.8376
            14  C1b C    13.8946  -13.1074
            15  N1a N    14.3178  -11.7670
            16  O7a O    17.1783  -14.8990
            17  O7a O    16.6254  -12.5141
            18  C1a C    18.5160  -14.6034
            19  X   Cl   19.3200  -17.7100
BOND        19
            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 2
            9     8   9 1
            10    5   9 1
            11    7  10 1
            12    2  11 1
            13   11  12 1
            14   10  13 1
            15   10  14 1
            16   14  15 1
            17   13  16 1
            18   13  17 2
            19   16  18 1


entry: D04534
name: --- - Indoxole (USAN)
formula: C22H19NO2
activity: Antipyretic; Anti-inflammatory
kcf:
ATOM        25
            1   C8x C    14.7700  -19.6000
            2   C8x C    14.7700  -18.2000
            3   C8x C    15.9600  -17.5000
            4   C8y C    17.2200  -18.2000
            5   C8y C    17.2200  -19.6000
            6   C8x C    15.9600  -20.3000
            7   C8y C    18.5500  -17.7800
            8   C8y C    19.3200  -18.9000
            9   N4x N    18.5500  -20.0200
            10  C8y C    20.7200  -18.9000
            11  C8y C    18.9700  -16.4500
            12  C8x C    20.3369  -16.1476
            13  C8x C    20.7585  -14.8126
            14  C8y C    19.8132  -13.7800
            15  C8x C    18.4462  -14.0824
            16  C8x C    18.0246  -15.4174
            17  C8x C    21.4200  -20.1124
            18  C8x C    22.8200  -20.1124
            19  C8y C    23.5200  -18.9000
            20  C8x C    22.8200  -17.6876
            21  C8x C    21.4200  -17.6876
            22  O2a O    20.2316  -12.4550
            23  C1a C    21.5960  -12.1532
            24  O2a O    24.9200  -18.9000
            25  C1a C    25.6200  -20.1124
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     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    8  10 1
            12    7  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   10  17 2
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   10  21 1
            25   14  22 1
            26   22  23 1
            27   19  24 1
            28   24  25 1


entry: D04535
name: --- - Indriline hydrochloride (USAN)
formula: C19H21N. HCl
activity: Stimulant [central]
kcf:
ATOM        21
            1   C8x C    11.3400  -15.2600
            2   C8x C    11.3400  -16.6600
            3   C8x C    12.5524  -17.3600
            4   C8y C    13.7649  -16.6600
            5   C8y C    13.7649  -15.2600
            6   C8x C    12.5524  -14.5600
            7   C2x C    15.0964  -17.0926
            8   C2x C    15.9193  -15.9600
            9   C1z C    15.0964  -14.8274
            10  C1b C    16.3088  -14.1274
            11  C8y C    14.3964  -13.6149
            12  C8x C    15.1173  -12.3660
            13  C8x C    14.4172  -11.1536
            14  C8x C    13.0172  -11.1537
            15  C8x C    12.2963  -12.4026
            16  C8x C    12.9964  -13.6150
            17  C1b C    17.5276  -14.8310
            18  N1c N    18.7153  -14.1450
            19  C1a C    19.9066  -14.8328
            20  C1a C    18.7153  -12.7402
            21  X   Cl   19.9500  -17.0800
BOND        22
            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 2
            9     8   9 1
            10    5   9 1
            11    9  10 1
            12    9  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   10  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 1


entry: D04537
name: --- - Ingliforib (USAN)
formula: C23H24ClN3O5
activity: Treatment of type2 diabetes mellitus [glycogen phosphorylase inhibitor]
kcf:
ATOM        32
            1   C8y C    11.6900  -16.3800
            2   C8x C    11.6900  -17.7800
            3   C8x C    12.9024  -18.4800
            4   C8y C    14.1149  -17.7800
            5   C8y C    14.1149  -16.3800
            6   C8x C    12.9024  -15.6800
            7   N4x N    15.4464  -18.2126
            8   C8y C    16.2693  -17.0800
            9   C8x C    15.4464  -15.9474
            10  X   Cl   10.4776  -15.6800
            11  C5a C    17.6400  -17.0800
            12  O5a O    18.3400  -18.2924
            13  N1b N    18.3400  -15.8676
            14  C1c C    19.7398  -15.8676
            15  C1c C    20.4496  -17.0968
            16  C5a C    21.8399  -17.0966
            17  N1y N    22.5329  -18.2965
            18  O5a O    22.5470  -15.8716
            19  C1x C    21.9747  -19.5508
            20  C1y C    22.9951  -20.4693
            21  C1y C    24.1840  -19.7827
            22  C1x C    23.8984  -18.4398
            23  C1b C    20.4303  -14.6720
            24  C8y C    19.7448  -13.4848
            25  C8x C    20.4328  -12.2934
            26  C8x C    19.7328  -11.0809
            27  C8x C    18.3328  -11.0808
            28  C8x C    17.6449  -12.2722
            29  C8x C    18.3448  -13.4847
            30  O1a O    19.7546  -18.3007
            31  O1a O    22.8532  -21.8288
            32  O1a O    25.4441  -20.3441
BOND        35
            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 2
            10    5   9 1
            11    1  10 1
            12    8  11 1
            13   11  12 2
            14   11  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 2
            20   17  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   17  22 1
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   24  29 1
            32   14  23 1 #Up
            33   15  30 1 #Down
            34   20  31 1 #Down
            35   21  32 1 #Down


entry: D04538
name: --- - Inocoterone acetate (USAN)
formula: C18H26O3
activity: Anti-acne
kcf:
ATOM        21
            1   C1x C    19.8071  -16.6559
            2   C5x C    19.8071  -18.0556
            3   C2y C    21.0193  -18.7554
            4   C2y C    22.2315  -18.0556
            5   C1y C    22.2315  -16.6559
            6   C1x C    21.0193  -15.9561
            7   C1x C    23.4436  -18.7554
            8   C1x C    24.6557  -18.0556
            9   C1z C    24.6557  -16.6559
            10  C1y C    23.4436  -15.9561
            11  O5x O    18.5950  -18.7554
            12  C1y C    25.6959  -15.7193
            13  C1x C    25.1266  -14.4407
            14  C1x C    23.7346  -14.5870
            15  C1b C    21.0193  -20.1549
            16  C1a C    19.7903  -20.8645
            17  C1a C    25.8678  -17.3558
            18  O7a O    27.0605  -16.0096
            19  C7a C    27.9998  -14.9663
            20  C1a C    29.3665  -15.2568
            21  O7a O    27.5697  -13.6428
BOND        23
            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    2  11 2
            13    9  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17    3  15 1
            18   15  16 1
            19    9  17 1 #Down
            20   12  18 1 #Down
            21   18  19 1
            22   19  20 1
            23   19  21 2


entry: D04554
activity: Antineoplastic; Biological response modifier
remark: Therapeutic category: 6399
name:
--- 
- Interferon beta-1a (genetical recombination) (JAN)
- Interferon beta-1a (USAN)
- Avonex (TN)


entry: D04555
name: --- - Intrazole (USAN)
formula: C17H12ClN5O
activity: Anti-inflammatory
kcf:
ATOM        24
            1   C8x C    11.9700  -17.4300
            2   C8x C    11.9700  -18.8300
            3   C8x C    13.1824  -19.5300
            4   C8y C    14.3949  -18.8300
            5   C8y C    14.3949  -17.4300
            6   C8x C    13.1824  -16.7300
            7   N4y N    15.7264  -19.2626
            8   C8x C    16.5493  -18.1300
            9   C8y C    15.7264  -16.9974
            10  C1b C    16.1575  -15.6706
            11  C5a C    16.1575  -20.5894
            12  C8y C    17.5369  -15.3774
            13  C8y C    17.5369  -20.8826
            14  O5a O    15.2311  -21.6185
            15  C8x C    17.9662  -22.2028
            16  C8x C    19.3357  -22.4935
            17  C8y C    20.2722  -21.4529
            18  C8x C    19.8429  -20.1327
            19  C8x C    18.4735  -19.8419
            20  N4x N    18.6067  -16.3409
            21  N5x N    19.8536  -15.6212
            22  N5x N    19.5544  -14.2129
            23  N5x N    18.1226  -14.0623
            24  X   Cl   21.6610  -21.7483
BOND        27
            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 2
            10    5   9 1
            11    9  10 1
            12    7  11 1
            13   10  12 1
            14   11  13 1
            15   11  14 2
            16   13  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   13  19 1
            22   12  20 1
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   12  23 2
            27   17  24 1


entry: D04556
name: --- - Intriptyline hydrochloride (USAN)
formula: C21H19N. HCl
activity: Antidepressant
kcf:
ATOM        23
            1   C8y C    22.6778  -16.1855
            2   C2y C    23.9476  -15.6055
            3   C8y C    25.2368  -16.2680
            4   C8y C    25.4894  -17.5907
            5   C8y C    22.3448  -17.5545
            6   C2x C    24.6059  -18.6800
            7   C2x C    23.2046  -18.6599
            8   C8x C    26.8116  -18.0509
            9   C8x C    27.8712  -17.1360
            10  C8x C    27.6187  -15.8132
            11  C8x C    26.2965  -15.3530
            12  C8x C    21.6652  -15.2188
            13  C8x C    20.3217  -15.6124
            14  C8x C    19.9886  -16.9814
            15  C8x C    21.0013  -17.9482
            16  C2b C    23.9797  -14.2106
            17  C3b C    25.2313  -13.5256
            18  C3b C    26.4438  -12.8256
            19  C1b C    27.6562  -12.1256
            20  N1c N    28.8572  -12.8189
            21  C1a C    30.0604  -12.1240
            22  C1a C    28.8573  -14.2099
            23  X   Cl   31.9200  -16.6600
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 2
            8     4   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    3  11 2
            13    1  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    5  15 2
            18    2  16 2
            19   16  17 1
            20   17  18 3
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   20  22 1


entry: D04557
name: --- - Iobenguane I 123 (USP)
formula: (C8H10IN3)2. H2SO4
activity: Radioactive agent
kcf:
ATOM        29
            1   C8x C    21.0700  -15.8200
            2   C8x C    19.8800  -15.1200
            3   C8y C    21.0700  -17.1500
            4   C8x C    18.6900  -15.8200
            5   C8x C    19.8800  -17.8500
            6   C8y C    18.6900  -17.1500
            7   X   I    17.1500  -18.2000
            8   C1b C    22.2600  -17.9200
            9   N1b N    23.3800  -17.2200
            10  C2c C    24.5700  -17.9200
            11  N1a N    25.7600  -17.2200
            12  N2a N    24.5700  -19.2500
            13  S4a S    31.2200  -17.2200
            14  O3c O    31.2200  -15.8200
            15  O3c O    31.2200  -18.6200
            16  O1d O    29.8200  -17.2200
            17  O1d O    32.6200  -17.2200
            18  C8x C    21.0700  -15.8200
            19  C8x C    19.8800  -15.1200
            20  C8x C    18.6900  -15.8200
            21  C8y C    18.6900  -17.1500
            22  C8x C    19.8800  -17.8500
            23  C8y C    21.0700  -17.1500
            24  C1b C    22.2600  -17.9200
            25  N1b N    23.3800  -17.2200
            26  C2c C    24.5700  -17.9200
            27  N1a N    25.7600  -17.2200
            28  N2a N    24.5700  -19.2500
            29  X   I    17.1500  -18.2000
BOND        28
            1    13  14 2
            2    13  15 2
            3    13  16 1
            4    13  17 1
            5     4   6 2
            6     5   6 1
            7     6   7 1
            8     3   8 1
            9     1   2 2
            10    8   9 1
            11    1   3 1
            12    9  10 1
            13    2   4 1
            14   10  11 1
            15    3   5 2
            16   10  12 2
            17   20  21 2
            18   22  21 1
            19   21  29 1
            20   23  24 1
            21   18  19 2
            22   24  25 1
            23   18  23 1
            24   25  26 1
            25   19  20 1
            26   26  27 1
            27   23  22 2
            28   26  28 2


entry: D04559
name: --- - Iobenguane sulfate I 123 (USAN)
formula: (C8H10IN3)2. H2SO4
activity: Diagnostic aid [radioactive adrenomedullary disorders and neuroendocrine tumors]; Radioactive agent
kcf:
ATOM        29
            1   C8x C    21.0690  -15.8367
            2   C8x C    19.8830  -15.1390
            3   C8y C    21.0690  -17.1622
            4   C8x C    18.6970  -15.8367
            5   C8x C    19.8830  -17.8598
            6   C8y C    18.6970  -17.1622
            7   X   I    17.1622  -18.2087
            8   C1b C    22.2550  -17.9296
            9   N1b N    23.3712  -17.2320
            10  C2c C    24.5572  -17.9296
            11  N1a N    25.7432  -17.2320
            12  N2a N    24.5572  -19.2551
            13  S4a S    31.1848  -17.2320
            14  O3c O    31.1848  -15.8367
            15  O3c O    31.1848  -18.6273
            16  O1d O    29.7895  -17.2320
            17  O1d O    32.5801  -17.2320
            18  C8x C    21.0690  -15.8367
            19  C8x C    19.8830  -15.1390
            20  C8x C    18.6970  -15.8367
            21  C8y C    18.6970  -17.1622
            22  C8x C    19.8830  -17.8598
            23  C8y C    21.0690  -17.1622
            24  C1b C    22.2550  -17.9296
            25  N1b N    23.3712  -17.2320
            26  C2c C    24.5572  -17.9296
            27  N1a N    25.7432  -17.2320
            28  N2a N    24.5572  -19.2551
            29  X   I    17.1622  -18.2087
BOND        28
            1    13  14 2
            2    13  15 2
            3    13  16 1
            4    13  17 1
            5     4   6 2
            6     5   6 1
            7     6   7 1
            8     3   8 1
            9     1   2 2
            10    8   9 1
            11    1   3 1
            12    9  10 1
            13    2   4 1
            14   10  11 1
            15    3   5 2
            16   10  12 2
            17   20  21 2
            18   22  21 1
            19   21  29 1
            20   23  24 1
            21   18  19 2
            22   24  25 1
            23   18  23 1
            24   25  26 1
            25   19  20 1
            26   26  27 1
            27   23  22 2
            28   26  28 2


entry: D04561
name: --- - Iocanlidic acid I 123 (USAN)
formula: C21H33IO2
activity: Diagnostic aid [radioactive, cardiac disease]
kcf:
ATOM        24
            1   C8y C    10.1500  -19.3900
            2   C8x C    10.1500  -20.7900
            3   C8x C    11.3624  -21.4900
            4   C8y C    12.5749  -20.7900
            5   C8x C    12.5749  -19.3900
            6   C8x C    11.3624  -18.6900
            7   X   I     8.9376  -18.6900
            8   C1b C    13.8060  -21.5010
            9   C1b C    15.0112  -20.8053
            10  C1b C    16.1924  -21.4900
            11  C1b C    17.4049  -20.7900
            12  C1b C    18.6173  -21.4900
            13  C1b C    19.8297  -20.7900
            14  C1b C    21.0422  -21.4900
            15  C1b C    22.2546  -20.7900
            16  C1b C    23.4670  -21.4900
            17  C1b C    24.6795  -20.7900
            18  C1b C    25.8919  -21.4900
            19  C1b C    27.1044  -20.7900
            20  C1b C    28.3168  -21.4900
            21  C1b C    29.5292  -20.7900
            22  C6a C    30.7417  -21.4900
            23  O6a O    31.9453  -20.7950
            24  O6a O    30.7417  -22.8900
BOND        24
            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     4   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   22  24 2


entry: D04562
name: --- - Iocarmate meglumine (USAN) - Dimeray (TN)
formula: C24H20I6N4O8. (C7H17NO5)2
activity: Diagnostic aid [radiopaque medium]
kcf:
ATOM        68
            1   C8y C     6.4095   -6.1145
            2   C8y C     6.4095   -7.5146
            3   C8y C     7.6250   -8.2147
            4   C8y C     8.8334   -7.5146
            5   C8y C     8.8334   -6.1145
            6   C8y C     7.6250   -5.4144
            7   C6a C     7.6267   -4.0143
            8   O6a O     8.8401   -3.3156
            9   O6a O     6.4151   -3.3126
            10  X   I     5.1972   -5.4137
            11  X   I    10.0465   -5.4153
            12  X   I     7.6267   -9.6148
            13  N1b N    10.0465   -8.2138
            14  C5a C     5.1972   -8.2154
            15  N1b N     3.9845   -7.5158
            16  O5a O     5.1981   -9.6155
            17  C5a C    11.2584   -7.5128
            18  C1b C    12.4715   -8.2120
            19  O5a O    11.2574   -6.1126
            20  C1b C    13.6836   -7.5111
            21  C1b C    14.8967   -8.2101
            22  C1b C    16.1086   -7.5092
            23  C5a C    17.3217   -8.2084
            24  N1b N    18.5338   -7.5073
            25  O5a O    17.3228   -9.6085
            26  C8y C    19.7468   -8.2065
            27  C8y C    19.7471   -9.6001
            28  C8y C    20.9602  -10.2993
            29  C8y C    22.1722   -9.5982
            30  C8y C    22.1711   -8.1981
            31  C8y C    20.9582   -7.4990
            32  X   I    18.5349  -10.3006
            33  C6a C    20.9612  -11.6994
            34  O6a O    19.7492  -12.4003
            35  X   I    23.3853  -10.2974
            36  C5a C    23.3832   -7.4971
            37  O5a O    23.3822   -6.0970
            38  X   I    20.9540   -6.0989
            39  O6a O    22.1744  -12.3985
            40  N1b N    24.5963   -8.1964
            41  C1a C    24.5974   -9.5965
            42  C1a C     3.9836   -6.1157
            43  C1a C    28.8136   -9.0502
            44  N1b N    30.0247   -8.3514
            45  C1b C    31.2359   -9.0502
            46  C1c C    32.4469   -8.3514
            47  C1c C    33.6581   -9.0502
            48  C1c C    34.8693   -8.3514
            49  C1c C    36.0804   -9.0502
            50  C1b C    37.2915   -8.3980
            51  O1a O    38.5028   -9.0967
            52  O1a O    32.4469   -6.9539
            53  O1a O    33.6581  -10.4476
            54  O1a O    34.8693   -6.9539
            55  O1a O    36.0804  -10.4941
            56  C1a C    28.8136   -9.0502
            57  N1b N    30.0247   -8.3514
            58  C1b C    31.2359   -9.0502
            59  C1c C    32.4469   -8.3514
            60  C1c C    33.6581   -9.0502
            61  O1a O    33.6581  -10.4476
            62  C1c C    34.8693   -8.3514
            63  C1c C    36.0804   -9.0502
            64  C1b C    37.2915   -8.3980
            65  O1a O    38.5028   -9.0967
            66  O1a O    36.0804  -10.4941
            67  O1a O    34.8693   -6.9539
            68  O1a O    32.4469   -6.9539
BOND        67
            1    20  21 1
            2     4   5 1
            3    21  22 1
            4     5  11 1
            5    22  23 1
            6     5   6 2
            7    23  24 1
            8     3  12 1
            9    23  25 2
            10    6   1 1
            11   24  26 1
            12    4  13 1
            13    2  14 1
            14    6   7 1
            15   14  15 1
            16   26  27 2
            17   27  28 1
            18   28  29 2
            19   29  30 1
            20   30  31 2
            21   31  26 1
            22    1   2 2
            23   27  32 1
            24   14  16 2
            25   28  33 1
            26    7   8 1
            27   33  34 2
            28   13  17 1
            29   29  35 1
            30    2   3 1
            31   30  36 1
            32   17  18 1
            33   36  37 2
            34    7   9 2
            35   31  38 1
            36   17  19 2
            37   33  39 1
            38    3   4 2
            39   36  40 1
            40   18  20 1
            41   40  41 1
            42    1  10 1
            43   15  42 1
            44   48  49 1
            45   45  46 1
            46   49  50 1
            47   50  51 1
            48   46  47 1
            49   46  52 1 #Down
            50   44  45 1
            51   47  53 1 #Down
            52   47  48 1
            53   48  54 1 #Down
            54   43  44 1
            55   49  55 1 #Up
            56   62  63 1
            57   58  59 1
            58   63  64 1
            59   64  65 1
            60   59  60 1
            61   59  68 1 #Down
            62   57  58 1
            63   60  61 1 #Down
            64   60  62 1
            65   62  67 1 #Down
            66   56  57 1
            67   63  66 1 #Up


entry: D04563
name: --- - Iocetamic acid (USAN) - Cholebrine (TN)
formula: C12H13I3N2O3
activity: Diagnostic aid [radiopaque medium]
kcf:
ATOM        20
            1   C8y C    28.0764  -17.2844
            2   C8y C    29.2910  -17.9910
            3   C8y C    26.8618  -17.9852
            4   C8y C    29.2910  -19.3926
            5   X   I    30.4999  -17.2727
            6   C8x C    26.8618  -19.3868
            7   X   I    25.6412  -17.2785
            8   C8y C    28.0764  -20.0876
            9   N1a N    30.4999  -20.0817
            10  X   I    28.0706  -21.4890
            11  N1c N    28.0788  -15.8900
            12  C1b C    29.2859  -15.1960
            13  C5a C    26.8610  -15.1841
            14  C1a C    25.6592  -15.8753
            15  O5a O    26.8635  -13.7901
            16  C1c C    29.2885  -13.7903
            17  C6a C    30.4807  -13.1046
            18  C1a C    28.0560  -13.0755
            19  O6a O    31.6626  -13.7897
            20  O6a O    30.4835  -11.6904
BOND        20
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     8  10 1
            10    6   8 2
            11    1  11 1
            12   11  12 1
            13   11  13 1
            14   13  14 1
            15   13  15 2
            16   12  16 1
            17   16  17 1
            18   16  18 1
            19   17  19 1
            20   17  20 2


entry: D04564
name: --- - Iodipamide sodium I 131 (USAN) - Radio-cholografin (TN)
formula: C20H12I6N2O6. 2Na
activity: Radioactive agent
kcf:
ATOM        36
            1   Z   Na   38.5701  -21.0701 #+
            2   N1b N    45.9200  -25.4100
            3   C6a C    35.0000  -21.9100
            4   O0  O    36.2600  -21.2100 #-
            5   O6a O    33.8100  -21.2100
            6   C8y C    35.0000  -23.3100
            7   C8y C    36.2600  -24.0100
            8   C8y C    36.2600  -25.4100
            9   C8y C    35.0000  -26.1100
            10  C8x C    33.8100  -25.4100
            11  C8y C    33.8100  -24.0100
            12  X   I    35.0000  -27.5100
            13  X   I    32.6200  -23.3100
            14  X   I    37.4500  -23.3100
            15  N1b N    37.4500  -26.1100
            16  C5a C    38.6400  -25.4100
            17  C1b C    39.9000  -26.1100
            18  C1b C    41.0900  -25.4100
            19  O5a O    38.6400  -24.0100
            20  C1b C    42.2800  -26.1100
            21  C1b C    43.4700  -25.4100
            22  C5a C    44.7300  -26.1100
            23  O5a O    44.7300  -27.5100
            24  C8y C    47.1100  -26.1100
            25  C8y C    47.1100  -27.5100
            26  C8y C    48.3000  -28.2100
            27  C8y C    49.5600  -27.5100
            28  C8x C    49.5600  -26.1100
            29  C8y C    48.3000  -25.4100
            30  X   I    45.8947  -28.6951
            31  X   I    48.2828  -24.0101
            32  X   I    50.9766  -28.3600
            33  C6a C    48.2828  -29.6099
            34  O0  O    47.0749  -30.2876 #-
            35  O6a O    49.4992  -30.3324
            36  Z   Na   43.6100  -30.2400 #+
BOND        35
            1     7  14 1
            2     8  15 1
            3     9  10 2
            4    15  16 1
            5    16  17 1
            6    10  11 1
            7    17  18 1
            8    11   6 2
            9     6   7 1
            10    9  12 1
            11    7   8 2
            12   11  13 1
            13   16  19 2
            14    6   3 1
            15    3   4 1
            16    3   5 2
            17    8   9 1
            18   18  20 1
            19   20  21 1
            20   21  22 1
            21   22   2 1
            22   22  23 2
            23    2  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   25  30 1
            31   29  31 1
            32   27  32 1
            33   26  33 1
            34   33  34 1
            35   33  35 2


entry: D04565
name: --- - Iodoantipyrine I 131 (USAN)
formula: C11H11IN2O
activity: Radioactive agent
kcf:
ATOM        15
            1   C8x C    45.2900  -26.5300
            2   C8x C    45.2900  -27.9300
            3   C8x C    44.1000  -28.6300
            4   C8x C    42.9100  -27.9300
            5   C8y C    42.9100  -26.5300
            6   C8x C    44.1000  -25.8300
            7   N4y N    41.6500  -25.8300
            8   C8y C    40.3900  -26.3900
            9   C8y C    39.4800  -25.3400
            10  C8y C    40.1800  -24.1500
            11  N4y N    41.5100  -24.4300
            12  O5x O    40.1100  -27.7200
            13  C1a C    42.5600  -23.4500
            14  C1a C    39.5500  -22.8200
            15  X   I    38.0858  -25.4675
BOND        16
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    7  11 1
            13    8  12 2
            14   11  13 1
            15   10  14 1
            16    9  15 1


entry: D04566
name: --- - Iodocetylic acid I 123 (USAN)
formula: C16H31IO2
activity: Diagnostic aid; Radioactive agent
kcf:
ATOM        19
            1   C1b C    11.2000  -12.1100
            2   C1b C    10.0100  -12.8100
            3   C6a C     8.8200  -12.1100
            4   O6a O     7.6300  -12.8100
            5   O6a O     8.8200  -10.7100
            6   C1b C    12.4124  -12.8100
            7   C1b C    13.6249  -12.1100
            8   C1b C    14.8373  -12.8100
            9   C1b C    16.0497  -12.1100
            10  C1b C    17.2622  -12.8100
            11  C1b C    18.4746  -12.1100
            12  C1b C    19.6870  -12.8100
            13  C1b C    20.8995  -12.1100
            14  C1b C    22.1119  -12.8100
            15  C1b C    23.3244  -12.1100
            16  C1b C    24.5368  -12.8100
            17  C1b C    25.7492  -12.1100
            18  C1b C    26.9617  -12.8100
            19  X   I    28.1741  -12.1100
BOND        18
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 2
            5     1   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1


entry: D04567
name: --- - Iodocholesterol I 131 (USAN)
formula: C27H45IO
activity: Radioactive agent
kcf:
ATOM        29
            1   C1y C    27.3692  -17.9944
            2   C1y C    26.2001  -18.6691
            3   C1z C    27.3692  -16.6451
            4   C1x C    29.7071  -17.9944
            5   C1y C    25.0370  -17.9944
            6   C1x C    26.1943  -20.0184
            7   C1y C    28.5498  -15.9705
            8   C1x C    26.2001  -15.9705
            9   C1a C    27.3632  -15.2959
            10  C1x C    29.7071  -16.6451
            11  C1z C    23.8564  -18.6691
            12  C1x C    25.0370  -16.6451
            13  C2x C    25.0370  -20.6931
            14  C1c C    28.5498  -14.6213
            15  C2y C    23.8564  -20.0184
            16  C1x C    22.6933  -17.9944
            17  C1b C    23.8447  -17.3198
            18  C1b C    29.7421  -13.9349
            19  C1a C    27.3516  -13.9293
            20  C1x C    22.6933  -20.6931
            21  C1x C    21.5242  -18.6691
            22  C1b C    30.9343  -14.6269
            23  C1y C    21.5242  -20.0184
            24  C1b C    32.1266  -13.9349
            25  O1a O    20.3436  -20.6931
            26  C1c C    33.3246  -14.6269
            27  C1a C    34.5169  -13.9407
            28  C1a C    33.3188  -16.2842
            29  X   I    22.6332  -16.6340
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   22  24 1
            24   23  25 1 #Up
            25   24  26 1
            26   26  27 1
            27   26  28 1
            28    7  10 1
            29    8  12 1
            30   13  15 2
            31   21  23 1
            32   17  29 1


entry: D04568
name: --- - Iodohippurate sodium I 123 (USP) - Nephroflow (TN)
formula: C9H7INO3. Na
activity: Diagnostic aid [renal function determination]; Radioactive agent
kcf:
ATOM        15
            1   C8x C    10.7100  -17.3600
            2   C8x C    10.7100  -18.7600
            3   C8x C    11.9224  -19.4600
            4   C8y C    13.1349  -18.7600
            5   C8y C    13.1349  -17.3600
            6   C8x C    11.9224  -16.6600
            7   X   I    14.3660  -16.6490
            8   C5a C    14.3660  -19.4710
            9   N1b N    15.5712  -18.7753
            10  O5a O    14.3657  -20.8599
            11  C1b C    16.7535  -19.4581
            12  C6a C    17.9475  -18.7688
            13  O0  O    19.1354  -19.4548 #-
            14  O6a O    17.9477  -17.3603
            15  Z   Na   21.3500  -19.5300 #+
BOND        14
            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     5   7 1
            8     4   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   12  14 2


entry: D04569
name: --- - Iodohippurate sodium I 125 (USAN) - Hippputope I-125 (TN)
formula: C9H7INO3. Na
activity: Radioactive agent
kcf:
ATOM        15
            1   C8x C    14.7984  -15.3061
            2   C8x C    14.7984  -16.7098
            3   C8x C    16.0141  -17.4117
            4   C8y C    17.2298  -16.7098
            5   C8y C    17.2298  -15.3061
            6   C8x C    16.0141  -14.6042
            7   X   I    18.4641  -14.5932
            8   C5a C    18.4641  -17.4227
            9   N1b N    19.6725  -16.7251
            10  O5a O    18.4638  -18.8153
            11  C1b C    20.8580  -17.4098
            12  C6a C    22.0552  -16.7186
            13  O0  O    23.2462  -17.4065 #-
            14  O6a O    22.0554  -15.3064
            15  Z   Na   25.4667  -17.4819 #+
BOND        14
            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     5   7 1
            8     4   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   12  14 2


entry: D04570
formula: C9H7INO3. Na
activity: Diagnostic aid [renal function determination]; Radioactive agent
remark: Therapeutic category: 4300
name:
--- 
- Sodium iodohippurate (131I) injection (JP15)
- Iodohippurate sodium I 131 (USAN)
- Hippuran I 131 (TN)

kcf:
ATOM        15
            1   C8x C    14.7982  -15.3059
            2   C8x C    14.7982  -16.7096
            3   C8x C    16.0139  -17.4115
            4   C8y C    17.2296  -16.7096
            5   C8y C    17.2296  -15.3059
            6   C8x C    16.0139  -14.6041
            7   X   I    18.4639  -14.5931
            8   C5a C    18.4639  -17.4225
            9   N1b N    19.6723  -16.7249
            10  O5a O    18.4636  -18.8151
            11  C1b C    20.8578  -17.4096
            12  C6a C    22.0550  -16.7184
            13  O0  O    23.2460  -17.4063 #-
            14  O6a O    22.0552  -15.3062
            15  Z   Na   25.4664  -17.4817 #+
BOND        14
            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     5   7 1
            8     4   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   12  14 2


entry: D04571
name: --- - Iodopyracet I 125 (USAN)
formula: C7H4I2NO3. C4H12NO2
activity: Radioactive agent
kcf:
ATOM        20
            1   C8x C    35.1434  -26.0458
            2   C8y C    35.1434  -27.4467
            3   C8y C    36.3566  -28.1472
            4   C8y C    37.5699  -27.4467
            5   C8x C    37.5699  -26.0458
            6   N4y N    36.3566  -25.3453
            7   O5x O    36.3566  -29.5479
            8   X   I    33.9302  -28.1472
            9   X   I    38.8018  -28.1582
            10  C1b C    36.3566  -23.9446
            11  C6a C    37.5530  -23.2537
            12  O0  O    38.7410  -23.9396 #-
            13  O6a O    37.5532  -21.8433
            14  N1b N    45.7665  -26.8148 #+
            15  C1b C    44.5499  -27.5111
            16  C1b C    46.9831  -27.5111
            17  C1b C    43.3331  -26.8148
            18  C1b C    48.1998  -26.8148
            19  O1a O    42.1165  -27.5111
            20  O1a O    49.4105  -27.5111
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     3   7 2
            8     2   8 1
            9     4   9 1
            10    6  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   14  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1


entry: D04572
name: --- - Iodopyracet I 131 (USAN)
formula: C7H4I2NO3. C4H12NO2
activity: Radioactive agent
kcf:
ATOM        20
            1   C8x C    13.5834  -17.0158
            2   C8y C    13.5834  -18.4167
            3   C8y C    14.7966  -19.1172
            4   C8y C    16.0099  -18.4167
            5   C8x C    16.0099  -17.0158
            6   N4y N    14.7966  -16.3153
            7   O5x O    14.7966  -20.5179
            8   X   I    12.3702  -19.1172
            9   X   I    17.6618  -19.4082
            10  C1b C    14.7966  -14.9146
            11  C6a C    15.9930  -14.2237
            12  O0  O    17.1810  -14.9096 #-
            13  O6a O    15.9932  -12.8133
            14  N1b N    24.2065  -17.7848 #+
            15  C1b C    22.9899  -18.4811
            16  C1b C    25.4231  -18.4811
            17  C1b C    21.7731  -17.7848
            18  C1b C    26.6398  -17.7848
            19  O1a O    20.5565  -18.4811
            20  O1a O    27.8505  -18.4811
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     3   7 2
            8     2   8 1
            9     4   9 1
            10    6  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   14  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1


entry: D04573
name: --- - Iodoxamate meglumine (USAN) - Cholovue (TN)
formula: C26H26I6N2O10. (C7H17NO5)2
activity: Diagnostic aid [radiopaque medium]
kcf:
ATOM        70
            1   C8y C     4.2645   -5.0880
            2   C8x C     4.2645   -6.4894
            3   C8y C     5.4810   -7.1901
            4   C8y C     6.6904   -6.4894
            5   C8y C     6.6904   -5.0880
            6   C8y C     5.4810   -4.3874
            7   X   I     7.9046   -4.3884
            8   X   I     3.0513   -4.3869
            9   X   I     5.4829   -8.5914
            10  C6a C     5.4829   -2.9860
            11  O6a O     6.6974   -2.2869
            12  O6a O     4.2701   -2.2838
            13  N1b N     7.9046   -7.1892
            14  C5a C     9.1177   -6.4877
            15  C1b C    10.3319   -7.1873
            16  O5a O     9.1167   -5.0863
            17  C1b C    11.5448   -6.4858
            18  O2a O    12.7590   -7.1856
            19  C1b C    13.9677   -6.4824
            20  C1b C    15.1780   -7.1831
            21  O2a O    16.3882   -6.4824
            22  C1b C    17.5985   -7.1831
            23  C1b C    18.8087   -6.4824
            24  O2a O    20.0190   -7.1831
            25  C1b C    21.2292   -6.4824
            26  C1b C    22.4395   -7.1831
            27  O2a O    23.6497   -6.4824
            28  C1b C    24.8600   -7.1831
            29  C1b C    26.0702   -6.4824
            30  C5a C    27.2805   -7.1831
            31  N1b N    28.4907   -6.4824
            32  C8y C    29.7010   -7.1831
            33  O5a O    27.2805   -8.5844
            34  C8y C    29.6993   -8.5815
            35  C8y C    30.9095   -9.2822
            36  C8y C    32.1215   -8.5844
            37  C8x C    32.1232   -7.1860
            38  C8y C    30.9129   -6.4853
            39  X   I    30.9146   -5.0840
            40  X   I    33.3343   -9.2865
            41  X   I    28.4850   -9.2807
            42  C6a C    30.9080  -10.6836
            43  O6a O    29.6935  -11.3827
            44  O6a O    32.1206  -11.3856
            45  C1a C    10.0536  -14.6502
            46  N1b N    11.2647  -13.9514
            47  C1b C    12.4759  -14.6502
            48  C1c C    13.6869  -13.9514
            49  C1c C    14.8981  -14.6502
            50  C1c C    16.1093  -13.9514
            51  C1c C    17.3204  -14.6502
            52  C1b C    18.5315  -13.9980
            53  O1a O    19.7428  -14.6967
            54  O1a O    13.6869  -12.5539
            55  O1a O    14.8981  -16.0476
            56  O1a O    16.1093  -12.5539
            57  O1a O    17.3204  -16.0941
            58  C1a C    10.0536  -14.6502
            59  N1b N    11.2647  -13.9514
            60  C1b C    12.4759  -14.6502
            61  C1c C    13.6869  -13.9514
            62  C1c C    14.8981  -14.6502
            63  O1a O    14.8981  -16.0476
            64  C1c C    16.1093  -13.9514
            65  C1c C    17.3204  -14.6502
            66  C1b C    18.5315  -13.9980
            67  O1a O    19.7428  -14.6967
            68  O1a O    17.3204  -16.0941
            69  O1a O    16.1093  -12.5539
            70  O1a O    13.6869  -12.5539
BOND        69
            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
            46   50  51 1
            47   47  48 1
            48   51  52 1
            49   52  53 1
            50   48  49 1
            51   48  54 1 #Down
            52   46  47 1
            53   49  55 1 #Down
            54   49  50 1
            55   50  56 1 #Down
            56   45  46 1
            57   51  57 1 #Up
            58   64  65 1
            59   60  61 1
            60   65  66 1
            61   66  67 1
            62   61  62 1
            63   61  70 1 #Down
            64   59  60 1
            65   62  63 1 #Down
            66   62  64 1
            67   64  69 1 #Down
            68   58  59 1
            69   65  68 1 #Up


entry: D04574
name: --- - Ioglicic acid (USAN)
formula: C13H12I3N3O5
activity: Diagnostic aid [radiopaque medium]
kcf:
ATOM        24
            1   C8y C    16.4374  -17.7401
            2   C8y C    16.4374  -16.3417
            3   C8y C    17.6495  -18.4394
            4   N1b N    15.2254  -18.4394
            5   C8y C    17.6495  -15.6426
            6   X   I    15.2195  -15.6367
            7   C8y C    18.8614  -17.7460
            8   X   I    17.6435  -19.8378
            9   C5a C    14.0134  -17.7518
            10  C8y C    18.8614  -16.3476
            11  C6a C    17.6495  -14.2442
            12  C5a C    20.0735  -18.4337
            13  C1a C    12.8131  -18.4452
            14  O5a O    14.0076  -16.3476
            15  X   I    20.0735  -15.6310
            16  O6a O    16.4374  -13.5449
            17  O6a O    18.8614  -13.5449
            18  N1b N    21.2795  -17.7344
            19  C1b C    22.4856  -18.4277
            20  C5a C    23.6991  -17.7238
            21  N1b N    24.9243  -18.4274
            22  C1a C    26.1433  -17.7195
            23  O5a O    20.0802  -19.8100
            24  O5a O    23.6958  -16.3104
BOND        24
            1     1   2 1
            2     1   3 2
            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     5  10 1
            10    5  11 1
            11    7  12 1
            12    9  13 1
            13    9  14 2
            14   10  15 1
            15   11  16 2
            16   11  17 1
            17   12  18 1
            18   18  19 1
            19    7  10 2
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   12  23 2
            24   20  24 2


entry: D04575
name: --- - Ioglucol (USAN)
formula: C18H24I3N3O9
activity: Diagnostic aid [radiopaque medium]
kcf:
ATOM        33
            1   C8y C    15.8900  -17.3600
            2   C8y C    15.8900  -15.9600
            3   C8y C    17.0800  -18.0600
            4   N1c N    14.6300  -18.0600
            5   C8y C    17.0800  -15.2600
            6   X   I    14.6300  -15.2600
            7   C8y C    18.2700  -17.3600
            8   X   I    17.0800  -19.4600
            9   C5a C    13.4400  -17.3600
            10  C8y C    18.2700  -15.9600
            11  C5a C    17.0800  -13.8600
            12  N1b N    19.5300  -18.0600
            13  C1a C    12.2500  -18.0600
            14  O5a O    13.4400  -15.9600
            15  X   I    19.5300  -15.2600
            16  O5a O    15.8900  -13.1600
            17  N1b N    18.2700  -13.1600
            18  C5a C    20.7200  -17.3600
            19  C1c C    21.9100  -18.0600
            20  C1c C    23.1000  -17.3600
            21  C1c C    24.3600  -18.0600
            22  C1c C    25.5500  -17.3600
            23  C1a C    19.5300  -13.9300
            24  C1b C    14.6300  -19.5300
            25  C1b C    13.4400  -20.2300
            26  O1a O    12.2500  -19.5300
            27  O5a O    20.7200  -15.9600
            28  C1b C    26.8100  -18.0600
            29  O1a O    28.0000  -17.3600
            30  O1a O    21.9100  -19.4600
            31  O1a O    23.0828  -15.9601
            32  O1a O    24.3772  -19.4599
            33  O1a O    25.5328  -15.9601
BOND        33
            1     1   2 1
            2     1   3 2
            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     5  10 1
            10    5  11 1
            11    7  12 1
            12    9  13 1
            13    9  14 2
            14   10  15 1
            15   11  16 2
            16   11  17 1
            17   12  18 1
            18   18  19 1
            19    7  10 2
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   17  23 1
            24    4  24 1
            25   24  25 1
            26   25  26 1
            27   18  27 2
            28   22  28 1
            29   28  29 1
            30   19  30 1 #Up
            31   20  31 1 #Up
            32   21  32 1 #Up
            33   22  33 1 #Down


entry: D04576
name: --- - Ioglucomide (USAN)
formula: C20H28I3N3O13
activity: Diagnostic aid [radiopaque medium]
kcf:
ATOM        39
            1   C8y C    40.3965  -26.7471
            2   C8y C    40.3965  -25.3465
            3   C8y C    41.5869  -27.4473
            4   N1b N    39.1359  -27.4473
            5   C8y C    41.5869  -24.6462
            6   X   I    39.1359  -24.6462
            7   C8y C    42.7774  -26.7471
            8   X   I    41.5869  -28.8479
            9   C5a C    37.9455  -26.7471
            10  C8y C    42.7774  -25.3465
            11  C5a C    41.5869  -23.2456
            12  N1b N    44.0379  -27.4473
            13  C1c C    36.7550  -27.4473
            14  O5a O    37.9455  -25.3465
            15  X   I    44.0379  -24.6462
            16  O5a O    40.3965  -22.5453
            17  N1b N    42.7774  -22.5453
            18  C5a C    45.2284  -26.7471
            19  C1c C    46.4189  -27.4473
            20  C1c C    47.6094  -26.7471
            21  C1c C    48.8699  -27.4473
            22  C1c C    50.0604  -26.7471
            23  C1a C    44.0379  -23.3157
            24  O5a O    45.2284  -25.3465
            25  C1b C    51.3209  -27.4473
            26  O1a O    52.5114  -26.7471
            27  C1c C    35.5645  -26.7471
            28  C1c C    34.3740  -27.4473
            29  C1c C    33.1835  -26.7471
            30  C1b C    31.9930  -27.4473
            31  O1a O    30.8026  -26.7471
            32  O1a O    36.7550  -28.8479
            33  O1a O    35.4945  -25.3465
            34  O1a O    34.3740  -28.8479
            35  O1a O    33.1835  -25.3465
            36  O1a O    46.4189  -28.8479
            37  O1a O    47.5922  -25.3466
            38  O1a O    48.8871  -28.8478
            39  O1a O    50.0432  -25.3466
BOND        39
            1     1   2 1
            2     1   3 2
            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     5  10 1
            10    5  11 1
            11    7  12 1
            12    9  13 1
            13    9  14 2
            14   10  15 1
            15   11  16 2
            16   11  17 1
            17   12  18 1
            18   18  19 1
            19    7  10 2
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   17  23 1
            24   18  24 2
            25   22  25 1
            26   25  26 1
            27   13  27 1
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   13  32 1 #Down
            33   27  33 1 #Down
            34   28  34 1 #Down
            35   29  35 1 #Up
            36   19  36 1 #Up
            37   20  37 1 #Up
            38   21  38 1 #Up
            39   22  39 1 #Down


entry: D04577
name: --- - Ioglycamic acid (USAN)
formula: C18H10I6N2O7
activity: Diagnostic aid [radiopaque medium, cholecystographic]
kcf:
ATOM        33
            1   C8x C    18.9113  -17.6925
            2   C8y C    18.9113  -16.2923
            3   C8y C    20.1249  -18.3926
            4   C8y C    20.1249  -15.5923
            5   X   I    17.6919  -15.5864
            6   C8y C    21.3384  -17.6984
            7   X   I    20.1189  -19.7928
            8   C8y C    21.3384  -16.2982
            9   C6a C    20.1249  -14.1921
            10  N1b N    22.5520  -18.3869
            11  X   I    22.5520  -15.5807
            12  O6a O    18.9113  -13.4920
            13  O6a O    21.3384  -13.4920
            14  C5a C    23.7595  -17.6868
            15  C1b C    24.9672  -18.3809
            16  O5a O    23.7538  -16.2865
            17  O2a O    26.1822  -17.6761
            18  C1b C    27.4089  -18.3806
            19  C5a C    28.6295  -17.6718
            20  N1b N    29.8303  -18.3606
            21  O5a O    28.6258  -16.2400
            22  C8y C    31.0419  -17.6567
            23  C8y C    32.2250  -18.3355
            24  C8x C    33.4356  -17.6322
            25  C8y C    33.4318  -16.2322
            26  C8y C    32.2487  -15.5534
            27  C8y C    31.0381  -16.2567
            28  X   I    29.7954  -15.5437
            29  X   I    32.2289  -19.7397
            30  X   I    34.6597  -15.5185
            31  C6a C    32.2446  -14.1402
            32  O6a O    31.0493  -13.4544
            33  O6a O    33.4740  -13.4256
BOND        34
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     6  10 1
            10    8  11 1
            11    9  12 2
            12    9  13 1
            13   10  14 1
            14   14  15 1
            15   14  16 2
            16    6   8 2
            17   15  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   19  21 2
            22   20  22 1
            23   22  23 2
            24   23  24 1
            25   24  25 2
            26   25  26 1
            27   26  27 2
            28   22  27 1
            29   27  28 1
            30   23  29 1
            31   25  30 1
            32   26  31 1
            33   31  32 1
            34   31  33 2


entry: D04578
name: --- - Iogulamide (USAN)
formula: C20H26I3N3O12
activity: Diagnostic aid [radiopaque medium]
kcf:
ATOM        38
            1   C8y C    18.8365  -17.7171
            2   C8y C    18.8365  -16.3165
            3   C8y C    20.0269  -18.4173
            4   C5a C    17.5759  -18.4173
            5   C8y C    20.0269  -15.6162
            6   X   I    17.5759  -15.6162
            7   C8y C    21.2174  -17.7171
            8   X   I    20.0269  -19.8179
            9   N1b N    16.3855  -17.7171
            10  C8y C    21.2174  -16.3165
            11  C5a C    20.0269  -14.2156
            12  N1b N    22.4779  -18.4173
            13  C1b C    15.1950  -18.4173
            14  X   I    22.4779  -15.6162
            15  O5a O    18.8365  -13.5153
            16  N1b N    21.2174  -13.5153
            17  C5a C    23.6684  -17.7171
            18  C5a C    24.8589  -18.4173
            19  C1c C    26.0494  -17.7171
            20  C1c C    27.3099  -18.4173
            21  C1c C    28.5004  -17.7171
            22  C1b C    22.4779  -14.2857
            23  O5a O    23.6684  -16.3165
            24  C1b C    29.7609  -18.4173
            25  O1a O    30.9514  -17.7171
            26  C1c C    14.0045  -17.7171
            27  C1b C    12.8140  -18.4173
            28  O1a O    11.6235  -17.7171
            29  O5a O    24.8589  -19.8179
            30  O1a O    26.0322  -16.3166
            31  O1a O    27.3271  -19.8178
            32  O1a O    28.4831  -16.3100
            33  C1c C    23.7037  -13.6182
            34  C1b C    24.9318  -14.3682
            35  O1a O    23.7382  -12.2500
            36  O1a O    26.1595  -13.6991
            37  O5a O    17.5588  -19.8100
            38  O1a O    14.0045  -16.3100
BOND        38
            1     1   2 1
            2     1   3 2
            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     5  10 1
            10    5  11 1
            11    7  12 1
            12    9  13 1
            13   10  14 1
            14   11  15 2
            15   11  16 1
            16   12  17 1
            17   17  18 1
            18    7  10 2
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   16  22 1
            23   17  23 2
            24   21  24 1
            25   24  25 1
            26   13  26 1
            27   26  27 1
            28   27  28 1
            29   18  29 2 #Up
            30   19  30 1 #Up
            31   20  31 1 #Up
            32   21  32 1 #Up
            33   22  33 1
            34   33  34 1
            35   33  35 1
            36   34  36 1
            37    4  37 2
            38   26  38 1


entry: D04579
name: --- - Iomethin I 125 (USAN)
formula: C14H18IN3
activity: Diagnostic aid [neoplasm]; Radioactive agent
kcf:
ATOM        18
            1   C8y C    37.4877  -23.9313
            2   C8x C    37.4877  -25.3361
            3   C8x C    38.7042  -26.0384
            4   C8y C    39.9208  -25.3361
            5   C8y C    39.9208  -23.9313
            6   C8x C    38.7042  -23.2290
            7   C8y C    41.1373  -26.0384
            8   C8x C    42.3538  -25.3361
            9   C8x C    42.3538  -23.9313
            10  N5x N    41.1373  -23.2290
            11  X   I    36.2713  -23.2290
            12  N1b N    41.1373  -27.4431
            13  C1b C    42.3559  -28.1467
            14  C1b C    43.5564  -27.4534
            15  C1b C    44.7472  -28.1409
            16  N1c N    45.9427  -27.4504
            17  C1a C    47.1362  -28.1394
            18  C1a C    45.9427  -26.0387
BOND        19
            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 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13    7  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 1


entry: D04580
name: --- - Iomethin I 131 (USAN)
formula: C14H18IN3
activity: Diagnostic aid [neoplasm]; Radioactive agent
kcf:
ATOM        18
            1   C8y C    15.9277  -14.9013
            2   C8x C    15.9277  -16.3061
            3   C8x C    17.1442  -17.0084
            4   C8y C    18.3608  -16.3061
            5   C8y C    18.3608  -14.9013
            6   C8x C    17.1442  -14.1990
            7   C8y C    19.5773  -17.0084
            8   C8x C    20.7938  -16.3061
            9   C8x C    20.7938  -14.9013
            10  N5x N    19.5773  -14.1990
            11  X   I    14.7113  -14.1990
            12  N1b N    19.5773  -18.4131
            13  C1b C    20.7959  -19.1167
            14  C1b C    21.9964  -18.4234
            15  C1b C    23.1872  -19.1109
            16  N1c N    24.3827  -18.4204
            17  C1a C    25.5762  -19.1094
            18  C1a C    24.3827  -17.0087
BOND        19
            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 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13    7  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 1


entry: D04581
name: --- - Iometopane I 123 (USAN) - Dopascan (TN)
formula: C16H20INO2
activity: Diagnostic aid
kcf:
ATOM        20
            1   C1x C    36.8200  -26.5300
            2   C1x C    37.1000  -25.3400
            3   C1y C    37.9400  -26.2500
            4   C1y C    38.2900  -25.0600
            5   N1y N    37.0300  -23.8000
            6   C1x C    39.7600  -26.2500
            7   C1y C    39.4800  -25.0600
            8   C1y C    40.7400  -26.7400
            9   C1a C    37.0300  -22.4000
            10  C7a C    40.1061  -23.8078
            11  O7a O    41.5061  -23.8078
            12  O7a O    39.3677  -22.6130
            13  C1a C    42.2104  -22.5878
            14  C8y C    42.0923  -26.3777
            15  C8x C    43.0770  -27.3626
            16  C8x C    44.4294  -27.0003
            17  C8y C    44.7918  -25.6481
            18  C8x C    43.8071  -24.6632
            19  C8x C    42.4548  -25.0254
            20  X   I    46.1586  -25.2823
BOND        22
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1
            6     4   7 1
            7     6   8 1
            8     4   5 1
            9     7   8 1
            10    5   9 1
            11    7  10 1
            12   10  11 1
            13   10  12 2
            14   11  13 1
            15    8  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   17  20 1


entry: D04582
name: --- - Iopentol (USAN)
formula: C20H28I3N3O9
activity: Diagnostic aid [radiopaque medium]
kcf:
ATOM        35
            1   C8y C    18.8365  -17.7171
            2   C8y C    18.8365  -16.3165
            3   C8y C    20.0269  -18.4173
            4   C5a C    17.5759  -18.4173
            5   C8y C    20.0269  -15.6162
            6   X   I    17.5759  -15.6162
            7   C8y C    21.2174  -17.7171
            8   X   I    20.0269  -19.8179
            9   N1b N    16.3855  -17.7171
            10  C8y C    21.2174  -16.3165
            11  C5a C    22.4779  -18.4173
            12  C1b C    15.1950  -18.4173
            13  X   I    22.4779  -15.6162
            14  N1b N    23.6684  -17.7171
            15  C1b C    24.8589  -18.4173
            16  C1c C    26.0494  -17.7171
            17  C1b C    27.3099  -18.4173
            18  O1a O    28.5004  -17.7171
            19  C1c C    14.0045  -17.7171
            20  C1b C    12.8140  -18.4173
            21  O1a O    11.6235  -17.7171
            22  N1c N    20.0270  -14.2100
            23  C1b C    21.2342  -13.5130
            24  C5a C    18.8093  -13.5070
            25  C1a C    17.6112  -14.1988
            26  O5a O    18.8093  -12.1102
            27  C1c C    21.2343  -12.1102
            28  C1b C    22.4285  -11.4207
            29  O1a O    20.0037  -11.3994
            30  O2a O    23.6149  -12.1057
            31  C1a C    24.8067  -11.4175
            32  O5a O    17.5588  -19.8100
            33  O5a O    22.4950  -19.8098
            34  O1a O    14.0045  -16.3100
            35  O1a O    26.0321  -16.3100
BOND        35
            1     1   2 1
            2     1   3 2
            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     5  10 1
            10    7  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   14  15 1
            15    7  10 2
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   12  19 1
            20   19  20 1
            21   20  21 1
            22    5  22 1
            23   22  23 1
            24   22  24 1
            25   24  25 1
            26   24  26 2
            27   23  27 1
            28   27  28 1
            29   27  29 1
            30   28  30 1
            31   30  31 1
            32    4  32 2
            33   11  33 2
            34   19  34 1
            35   16  35 1


entry: D04584
name: --- - Ioprocemic acid (USAN)
formula: C13H14I3NO3
activity: Diagnostic aid [radiopaque medium]
kcf:
ATOM        20
            1   C8y C    20.1043  -15.2326
            2   C8y C    20.1043  -16.6320
            3   C8y C    21.3163  -17.3317
            4   C8y C    22.5282  -16.6320
            5   C8y C    22.5282  -15.2326
            6   C8x C    21.3163  -14.5328
            7   X   I    23.7415  -14.5321
            8   X   I    18.8923  -14.5328
            9   X   I    21.3163  -18.7311
            10  N1c N    23.7419  -17.3317
            11  C5a C    24.9561  -16.6296
            12  C1a C    26.1730  -17.3311
            13  O5a O    24.9552  -15.2342
            14  C1b C    23.7428  -18.7333
            15  C1a C    24.9581  -19.4338
            16  C1b C    18.8690  -17.3449
            17  C1b C    17.6865  -16.6618
            18  C6a C    16.4924  -17.3510
            19  O6a O    15.3047  -16.6649
            20  O6a O    16.4920  -18.7597
BOND        20
            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     5   7 1
            8     1   8 1
            9     3   9 1
            10    4  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   10  14 1
            15   14  15 1
            16    2  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   18  20 2


entry: D04585
name: --- - Iopronic acid (USAN) - Bilimiron (TN)
formula: C15H18I3NO5
activity: Diagnostic aid [radiopaque medium, cholecystographic]
kcf:
ATOM        24
            1   C8y C    19.5064  -14.9069
            2   C8y C    19.5064  -16.3086
            3   C8y C    20.7204  -17.0094
            4   C8y C    21.9342  -16.3086
            5   C8y C    21.9342  -14.9069
            6   C8x C    20.7204  -14.2060
            7   X   I    23.1494  -14.2053
            8   X   I    18.2925  -14.2060
            9   X   I    20.7204  -18.4110
            10  N1b N    23.1498  -17.0094
            11  C5a C    24.3660  -16.3062
            12  C1a C    25.5848  -17.0088
            13  O5a O    24.3651  -14.9085
            14  O2a O    18.2691  -17.0226
            15  C1b C    17.0848  -16.3384
            16  C1b C    15.8887  -17.0287
            17  O2a O    14.6992  -16.3415
            18  C1b C    13.5009  -17.0326
            19  C1c C    12.2860  -16.3305
            20  C6a C    11.1076  -17.0101
            21  C1b C    12.2861  -14.9104
            22  C1a C    11.0992  -14.2248
            23  O6a O     9.9123  -16.3191
            24  O6a O    11.1069  -18.4098
BOND        24
            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     5   7 1
            8     1   8 1
            9     3   9 1
            10    4  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14    2  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   19  21 1
            22   21  22 1
            23   20  23 1
            24   20  24 2


entry: D04586
name: --- - Iopydol (USAN)
formula: C8H9I2NO3
activity: Diagnostic aid [radiopaque medium, bronchographic]
kcf:
ATOM        14
            1   C8x C    12.4600  -15.0500
            2   C8y C    12.4600  -16.4500
            3   C8y C    13.6724  -17.1500
            4   C8y C    14.8849  -16.4500
            5   C8x C    14.8849  -15.0500
            6   N4y N    13.6724  -14.3500
            7   O5x O    13.6724  -18.5498
            8   X   I    11.2476  -17.1500
            9   X   I    16.1160  -17.1610
            10  C1b C    13.6724  -12.9502
            11  C1c C    14.8680  -12.2598
            12  C1b C    16.0552  -12.9452
            13  O1a O    17.2466  -12.2572
            14  O1a O    14.8682  -10.8503
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     3   7 2
            8     2   8 1
            9     4   9 1
            10    6  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   11  14 1


entry: D04587
name: --- - Iopydone (USAN)
formula: C5H3I2NO
activity: Diagnostic aid [radiopaque medium, bronchographic]
kcf:
ATOM        9
            1   C8x C    18.2967  -17.0423
            2   C8y C    18.2967  -18.4453
            3   C8y C    19.5117  -19.1468
            4   C8y C    20.7268  -18.4453
            5   C8x C    20.7268  -17.0423
            6   N4x N    19.5117  -16.3408
            7   O5x O    19.5117  -20.5496
            8   X   I    17.0817  -19.1468
            9   X   I    21.9606  -19.1578
BOND        9
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     3   7 2
            8     2   8 1
            9     4   9 1


entry: D04588
name: --- - Iosefamic acid (USAN)
formula: C28H28I6N4O8
activity: Diagnostic aid [radiopaque medium]
kcf:
ATOM        46
            1   C8y C    12.8688  -17.7415
            2   C8y C    12.8688  -16.3429
            3   C8y C    14.0810  -18.4407
            4   C8y C    14.0810  -15.6438
            5   X   I    11.6509  -15.6379
            6   C8y C    15.2930  -17.7474
            7   X   I    14.0750  -19.8393
            8   C8y C    15.2930  -16.3488
            9   C6a C    14.0810  -14.2452
            10  N1b N    16.5052  -18.4351
            11  X   I    16.5052  -15.6322
            12  O6a O    12.8688  -13.5460
            13  O6a O    15.2930  -13.5460
            14  C5a C    17.7113  -17.7358
            15  C1b C    18.9175  -18.4291
            16  O5a O    17.7056  -16.3371
            17  C5a C    11.6785  -18.4286
            18  N1b N    10.4669  -17.7289
            19  O5a O    11.6785  -19.8100
            20  C1a C     9.2874  -18.4097
            21  C1b C    20.1235  -17.7295
            22  C1b C    21.3038  -18.4077
            23  C1b C    22.4959  -17.7160
            24  C1b C    23.6877  -18.4008
            25  C1b C    24.8739  -17.7126
            26  C1b C    26.0687  -18.3991
            27  C1b C    27.2534  -17.7117
            28  C5a C    28.4489  -18.3987
            29  N1b N    29.6334  -17.7116
            30  O5a O    28.4520  -19.8096
            31  C8y C    30.8289  -18.3987
            32  C8y C    30.8319  -19.8096
            33  C8y C    32.0458  -20.5071
            34  C8y C    33.2568  -19.8045
            35  C8y C    33.2538  -18.3935
            36  C8y C    32.0398  -17.6961
            37  X   I    32.0371  -16.3102
            38  X   I    34.4680  -20.5004
            39  X   I    29.5972  -20.5264
            40  C6a C    32.0488  -21.9100
            41  O6a O    33.2711  -22.6123
            42  O6a O    30.8462  -22.6077
            43  C5a C    34.4547  -17.6969
            44  N1b N    35.6631  -18.3913
            45  O5a O    34.4518  -16.3100
            46  C1a C    36.8412  -17.7079
BOND        47
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     6  10 1
            10    8  11 1
            11    9  12 2
            12    9  13 1
            13   10  14 1
            14   14  15 1
            15   14  16 2
            16    6   8 2
            17    1  17 1
            18   17  18 1
            19   17  19 2
            20   18  20 1
            21   15  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   28  30 2
            31   29  31 1
            32   31  32 2
            33   32  33 1
            34   33  34 2
            35   34  35 1
            36   35  36 2
            37   31  36 1
            38   36  37 1
            39   34  38 1
            40   32  39 1
            41   33  40 1
            42   40  41 1
            43   40  42 2
            44   35  43 1
            45   43  44 1
            46   43  45 2
            47   44  46 1


entry: D04589
name: --- - Ioseric acid (USAN)
formula: C15H16I3N3O7
activity: Diagnostic aid [radiopaque medium]
kcf:
ATOM        28
            1   C8y C     9.8612  -16.3013
            2   C8y C     9.8612  -14.8949
            3   C8y C    11.0802  -17.0045
            4   C8y C    11.0802  -14.1918
            5   X   I     8.6365  -14.1859
            6   C8y C    12.2991  -16.3073
            7   X   I    11.0742  -18.4109
            8   C8y C    12.2991  -14.9008
            9   C6a C    11.0802  -12.7854
            10  N1b N    13.5181  -16.9988
            11  X   I    13.5181  -14.1802
            12  O6a O     9.8612  -12.0822
            13  O6a O    12.2991  -12.0822
            14  C5a C    14.7310  -16.2956
            15  C1b C    15.9439  -16.9928
            16  O5a O    14.7252  -14.8890
            17  C5a C     8.6642  -16.9923
            18  N1b N     7.4458  -16.2887
            19  O5a O     8.6642  -18.3815
            20  C1c C     6.2597  -16.9733
            21  O2a O    17.1567  -16.2893
            22  C1a C    18.3437  -16.9713
            23  C5a C     5.0105  -16.2524
            24  C1b C     6.2590  -18.3397
            25  O1a O     5.0245  -19.0519
            26  N1b N     3.8257  -16.9368
            27  O5a O     5.0099  -14.8403
            28  C1a C     2.6328  -16.2483
BOND        28
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     6  10 1
            10    8  11 1
            11    9  12 2
            12    9  13 1
            13   10  14 1
            14   14  15 1
            15   14  16 2
            16    6   8 2
            17    1  17 1
            18   17  18 1
            19   17  19 2
            20   18  20 1
            21   15  21 1
            22   21  22 1
            23   20  23 1
            24   20  24 1
            25   24  25 1
            26   23  26 1
            27   23  27 2
            28   26  28 1


entry: D04590
name: --- - Iosulamide meglumine (USAN)
formula: C28H28I6N4O10S. C7H17NO5
activity: Diagnostic aid [radiopaque medium]
kcf:
ATOM        62
            1   C8y C    35.7214  -21.9230
            2   C8y C    35.7214  -23.3263
            3   C8y C    34.5286  -24.0279
            4   C8y C    33.3358  -23.3263
            5   C8y C    33.3358  -21.9230
            6   C8y C    34.5286  -21.2213
            7   X   I    32.0728  -21.2213
            8   X   I    36.9844  -21.2213
            9   X   I    34.5286  -25.4313
            10  N1c N    32.0728  -24.0279
            11  C5a C    30.8800  -23.3263
            12  C1a C    29.6871  -24.0279
            13  O5a O    30.8800  -21.9230
            14  C1b C    32.0728  -25.4313
            15  C1a C    30.8800  -26.1329
            16  C6a C    34.5286  -19.8180
            17  O6a O    33.3358  -19.1163
            18  O6a O    35.7214  -19.1163
            19  N1b N    36.9396  -24.0230
            20  C5a C    38.1308  -23.3286
            21  C1b C    39.3301  -24.0144
            22  O5a O    38.1251  -21.9231
            23  C1b C    40.5141  -23.3244
            24  S4a S    41.7169  -24.0124
            25  C1b C    42.8992  -23.3234
            26  C1b C    44.1028  -24.0120
            27  C5a C    45.2848  -23.3233
            28  N1b N    46.4884  -24.0120
            29  C8y C    47.6704  -23.3234
            30  O5a O    45.2793  -21.9231
            31  O3c O    40.7246  -25.0047
            32  O3c O    42.7092  -25.0047
            33  C8y C    48.8740  -24.0121
            34  C8y C    50.0867  -23.3058
            35  C8y C    50.1513  -21.9025
            36  C8y C    48.8778  -21.2138
            37  C8y C    47.6651  -21.9201
            38  X   I    46.4369  -21.2170
            39  X   I    51.3027  -21.1909
            40  X   I    48.8795  -25.4308
            41  C6a C    48.8728  -19.8186
            42  O6a O    47.5620  -19.1080
            43  O6a O    49.9930  -19.1253
            44  N1c N    51.3277  -24.0159
            45  C5a C    52.5130  -23.3253
            46  C1a C    53.7149  -24.0130
            47  O5a O    52.5075  -21.9231
            48  C1b C    51.3333  -25.4309
            49  C1a C    52.6480  -26.1430
            50  C1a C    37.1685  -30.8543
            51  N1b N    38.3824  -30.1539
            52  C1b C    39.5965  -30.8543
            53  C1c C    40.8104  -30.1539
            54  C1c C    42.0245  -30.8543
            55  C1c C    43.2385  -30.1539
            56  C1c C    44.4525  -30.8543
            57  C1b C    45.6665  -30.2006
            58  O1a O    46.8807  -30.9009
            59  O1a O    40.8104  -28.7530
            60  O1a O    42.0245  -32.2550
            61  O1a O    43.2385  -28.7530
            62  O1a O    44.4525  -32.3016
BOND        62
            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     5   7 1
            8     1   8 1
            9     3   9 1
            10    4  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   10  14 1
            15   14  15 1
            16    6  16 1
            17   16  17 1
            18   16  18 2
            19    2  19 1
            20   19  20 1
            21   20  21 1
            22   20  22 2
            23   21  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   27  30 2
            31   24  31 2
            32   24  32 2
            33   29  33 2
            34   33  34 1
            35   34  35 2
            36   35  36 1
            37   36  37 2
            38   29  37 1
            39   37  38 1
            40   35  39 1
            41   33  40 1
            42   36  41 1
            43   41  42 2
            44   41  43 1
            45   34  44 1
            46   44  45 1
            47   45  46 1
            48   45  47 2
            49   44  48 1
            50   48  49 1
            51   55  56 1
            52   52  53 1
            53   56  57 1
            54   57  58 1
            55   53  54 1
            56   53  59 1 #Down
            57   51  52 1
            58   54  60 1 #Down
            59   54  55 1
            60   55  61 1 #Down
            61   50  51 1
            62   56  62 1 #Up


entry: D04591
name: --- - Iosumetic acid (USAN)
formula: C13H15I3N2O3
activity: Diagnostic aid [radiopaque medium]
kcf:
ATOM        21
            1   C8y C    22.5164  -14.9769
            2   C8y C    22.5164  -16.3786
            3   C8y C    23.7304  -17.0794
            4   C8y C    24.9442  -16.3786
            5   C8y C    24.9442  -14.9769
            6   C8x C    23.7304  -14.2760
            7   X   I    26.1594  -14.2753
            8   X   I    21.3025  -14.2760
            9   X   I    23.7304  -18.4810
            10  N1c N    26.1598  -17.0794
            11  C5a C    27.3760  -16.3762
            12  C1b C    28.5948  -17.0788
            13  O5a O    27.3751  -14.9785
            14  C1b C    26.1607  -18.4832
            15  C1a C    27.3780  -19.1848
            16  N1b N    21.2791  -17.0926
            17  C1a C    20.0948  -16.4084
            18  C1b C    29.7799  -16.3931
            19  C6a C    30.9648  -17.0759
            20  O6a O    32.1562  -16.3865
            21  O6a O    30.9662  -18.4798
BOND        21
            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     5   7 1
            8     1   8 1
            9     3   9 1
            10    4  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   10  14 1
            15   14  15 1
            16    2  16 1
            17   16  17 1
            18   12  18 1
            19   18  19 1
            20   19  20 1
            21   19  21 2


entry: D04592
name: --- - Iotasul (USAN)
formula: C38H50I6N6O14S
activity: Diagnostic aid [radiopaque medium]
kcf:
ATOM        65
            1   C8y C    19.4737  -15.0017
            2   C8y C    19.4737  -16.4057
            3   C8y C    20.6897  -17.1077
            4   C8y C    21.9055  -16.4057
            5   C8y C    21.9055  -15.0017
            6   C8y C    20.6897  -14.2996
            7   X   I    23.1227  -14.2989
            8   X   I    18.2578  -14.2996
            9   X   I    20.6897  -18.5116
            10  N1b N    23.1231  -17.1077
            11  C5a C    24.3413  -16.4033
            12  C1b C    25.5622  -17.1071
            13  O5a O    24.3404  -15.0033
            14  C5a C    18.2343  -17.1209
            15  N1c N    17.0481  -16.4356
            16  C5a C    20.6893  -12.8803
            17  O5a O    19.4998  -12.1936
            18  N1c N    21.9246  -12.1666
            19  O5a O    18.2347  -18.5496
            20  C1b C    15.8536  -17.1252
            21  C1b C    23.1320  -12.8632
            22  C1c C    24.3129  -12.1808
            23  C1a C    21.9240  -10.7801
            24  C1b C    25.5079  -12.8704
            25  O1a O    24.3126  -10.7802
            26  O1a O    26.6951  -12.1846
            27  C1c C    14.6274  -16.4168
            28  C1a C    17.0486  -15.0504
            29  C1b C    13.4025  -17.1231
            30  O1a O    14.6280  -15.0500
            31  O1a O    12.1784  -16.4151
            32  C1b C    26.7765  -16.4050
            33  S2a S    28.0030  -17.1126
            34  C1b C    29.2270  -16.4058
            35  C1b C    30.4524  -17.1136
            36  C5a C    31.6776  -16.4069
            37  N1b N    32.9017  -17.1148
            38  O5a O    31.6778  -14.9804
            39  C8y C    34.1283  -16.4082
            40  C8y C    35.3509  -17.1160
            41  C8y C    36.5642  -16.4175
            42  C8y C    36.5659  -15.0175
            43  C8y C    35.3432  -14.3096
            44  C8y C    34.1300  -15.0082
            45  X   I    32.9293  -14.3126
            46  C5a C    35.3448  -12.8800
            47  X   I    37.7458  -14.3386
            48  C5a C    37.7712  -17.1165
            49  X   I    35.3492  -18.5500
            50  O5a O    36.5619  -12.1791
            51  N1c N    34.1370  -12.1809
            52  C1b C    32.9416  -12.8695
            53  C1a C    34.1385  -10.7802
            54  C1c C    31.7557  -12.1832
            55  C1b C    30.5622  -12.8707
            56  O1a O    29.3754  -12.1838
            57  O1a O    31.7571  -10.7802
            58  N1c N    38.9910  -16.4141
            59  O5a O    37.7687  -18.5497
            60  C1b C    40.1870  -17.1060
            61  C1a C    38.9925  -14.9800
            62  C1c C    41.4059  -16.4039
            63  C1b C    42.6322  -17.1140
            64  O1a O    41.4069  -14.9804
            65  O1a O    43.8584  -16.4085
BOND        66
            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     5   7 1
            8     1   8 1
            9     3   9 1
            10    4  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14    2  14 1
            15   14  15 1
            16    6  16 1
            17   16  17 2
            18   16  18 1
            19   14  19 2
            20   15  20 1
            21   18  21 1
            22   21  22 1
            23   18  23 1
            24   22  24 1
            25   22  25 1
            26   24  26 1
            27   20  27 1
            28   15  28 1
            29   27  29 1
            30   27  30 1
            31   29  31 1
            32   12  32 1
            33   32  33 1
            34   33  34 1
            35   34  35 1
            36   35  36 1
            37   36  37 1
            38   36  38 2
            39   37  39 1
            40   39  40 2
            41   40  41 1
            42   41  42 2
            43   42  43 1
            44   43  44 2
            45   39  44 1
            46   44  45 1
            47   43  46 1
            48   42  47 1
            49   41  48 1
            50   40  49 1
            51   46  50 2
            52   46  51 1
            53   51  52 1
            54   51  53 1
            55   52  54 1
            56   54  55 1
            57   55  56 1
            58   54  57 1
            59   48  58 1
            60   48  59 2
            61   58  60 1
            62   58  61 1
            63   60  62 1
            64   62  63 1
            65   62  64 1
            66   63  65 1


entry: D04593
name: --- - Iotetric acid (USAN)
formula: C24H22I6N2O10
activity: Diagnostic aid [radiopaque medium]
kcf:
ATOM        42
            1   C8x C    29.0440  -25.3514
            2   C8y C    29.0440  -23.9420
            3   C8y C    30.2655  -26.0560
            4   C8y C    30.2655  -23.2375
            5   X   I    27.8168  -23.2316
            6   C8y C    31.4870  -25.3574
            7   X   I    30.2595  -27.4653
            8   C8y C    31.4870  -23.9479
            9   C6a C    30.2655  -21.8282
            10  N1b N    32.7085  -26.0503
            11  X   I    32.7085  -23.2259
            12  O6a O    29.0440  -21.1234
            13  O6a O    31.4870  -21.1234
            14  C5a C    33.9240  -25.3457
            15  C1b C    35.1394  -26.0443
            16  O5a O    33.9182  -23.9361
            17  O2a O    36.3548  -25.3393
            18  C1b C    37.5443  -26.0228
            19  C1b C    38.7724  -25.3105
            20  O2a O    39.9618  -25.9941
            21  C1b C    41.1541  -25.3025
            22  C1b C    42.3502  -25.9901
            23  O2a O    43.5392  -25.3006
            24  C1b C    44.7370  -25.9892
            25  C1b C    45.9250  -25.3001
            26  O2a O    47.1232  -25.9890
            27  C1b C    48.3112  -25.3001
            28  C5a C    49.5094  -25.9890
            29  N1b N    50.6974  -25.3001
            30  O5a O    49.5122  -27.4032
            31  C8y C    51.8955  -25.9891
            32  C8y C    51.8982  -27.4032
            33  C8y C    53.1151  -28.1027
            34  C8y C    54.3294  -27.3986
            35  C8x C    54.3267  -25.9844
            36  C8y C    53.1097  -25.2849
            37  X   I    50.6606  -28.1213
            38  X   I    55.5438  -28.0966
            39  C6a C    53.1178  -29.5089
            40  O6a O    54.3439  -30.2138
            41  O6a O    51.9127  -30.2078
            42  X   I    53.1068  -23.8702
BOND        43
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     6  10 1
            10    8  11 1
            11    9  12 2
            12    9  13 1
            13   10  14 1
            14   14  15 1
            15   14  16 2
            16    6   8 2
            17   15  17 1
            18   17  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   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   28  30 2
            31   29  31 1
            32   31  32 2
            33   32  33 1
            34   33  34 2
            35   34  35 1
            36   35  36 2
            37   31  36 1
            38   32  37 1
            39   34  38 1
            40   33  39 1
            41   39  40 2
            42   39  41 1
            43   36  42 1


entry: D04595
name: --- - Iothalamate sodium I 125 (USP) - Glofil-125 (TN)
formula: C11H8I3N2O4. Na
activity: Radioactive agent
kcf:
ATOM        21
            1   C8y C    42.8636  -25.3261
            2   C8y C    42.8708  -26.7261
            3   C8y C    41.6619  -27.4322
            4   C8y C    40.4458  -26.7383
            5   C8y C    40.4389  -25.3383
            6   C8y C    41.6476  -24.6322
            7   X   I    39.2228  -24.6444
            8   X   I    41.6688  -28.8322
            9   X   I    44.0726  -24.6200
            10  C6a C    41.6407  -23.2322
            11  O6a O    40.4246  -22.5384
            12  O0  O    42.8496  -22.5261 #-
            13  C5a C    39.2369  -27.4444
            14  O5a O    39.2440  -28.8444
            15  N1b N    38.0212  -26.7505
            16  C1a C    36.8122  -27.4566
            17  N1b N    44.0866  -27.4200
            18  C5a C    45.2955  -26.7137
            19  C1a C    46.5114  -27.4076
            20  O5a O    45.2884  -25.3139
            21  Z   Na   45.0797  -22.5398 #+
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: D04596
name: --- - Iothalamate sodium I 131 (USP) - Conray I 131 (TN)
formula: C11H8I3N2O4. Na
activity: Radioactive agent
kcf:
ATOM        21
            1   C8y C    42.8635  -25.3260
            2   C8y C    42.8707  -26.7260
            3   C8y C    41.6618  -27.4321
            4   C8y C    40.4457  -26.7382
            5   C8y C    40.4388  -25.3382
            6   C8y C    41.6475  -24.6321
            7   X   I    39.2227  -24.6443
            8   X   I    41.6687  -28.8321
            9   X   I    44.0725  -24.6199
            10  C6a C    41.6406  -23.2321
            11  O6a O    40.4245  -22.5383
            12  O0  O    42.8495  -22.5260 #-
            13  C5a C    39.2368  -27.4443
            14  O5a O    39.2439  -28.8443
            15  N1b N    38.0211  -26.7504
            16  C1a C    36.8121  -27.4565
            17  N1b N    44.0865  -27.4199
            18  C5a C    45.2954  -26.7136
            19  C1a C    46.5113  -27.4075
            20  O5a O    45.2883  -25.3138
            21  Z   Na   45.0796  -22.5397 #+
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: D04597
name: --- - Iotyrosine I 131 (USAN)
formula: C9H10INO3
activity: Radioactive agent
kcf:
ATOM        14
            1   C8y C    23.7423  -16.0390
            2   C8x C    23.7423  -17.4397
            3   C8x C    25.0030  -15.3386
            4   C1b C    22.5516  -15.3386
            5   C8x C    25.0030  -18.1401
            6   C8y C    26.1936  -16.0390
            7   C1c C    21.3610  -16.0390
            8   C8y C    26.1936  -17.4397
            9   X   I    27.3843  -15.3386
            10  C6a C    20.1003  -15.3386
            11  N1a N    21.3610  -17.4397
            12  O1a O    27.3843  -18.1401
            13  O6a O    18.9096  -16.0390
            14  O6a O    20.1003  -13.9378
BOND        14
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     6   9 1
            9     7  10 1
            10    7  11 1 #Down
            11    8  12 1
            12   10  13 1
            13   10  14 2
            14    6   8 1


entry: D04598
name: --- - Ioxaglate meglumine (USAN)
formula: C24H21I6N5O8. C7H17NO5
activity: Diagnostic aid [radiopaque medium]
comment: Component of Hexabrin (TN)
kcf:
ATOM        56
            1   C6a C     9.1213   -3.0230
            2   O6a O     7.9092   -2.3211
            3   C8y C     9.1203   -4.4165
            4   C8y C    10.3370   -5.1168
            5   C8y C    10.3370   -6.5175
            6   C8y C     9.1211   -7.2178
            7   C8y C     7.9122   -6.5175
            8   C8y C     7.9122   -5.1168
            9   X   I     9.1194   -8.6185
            10  X   I     6.6987   -4.4175
            11  X   I    11.5498   -4.4160
            12  C5a C     6.6987   -7.2170
            13  N1b N     5.4912   -6.5105
            14  C1b C     4.2816   -7.2109
            15  O5a O     6.6941   -8.6176
            16  N1b N    11.5467   -7.2178
            17  C5a C    12.7564   -6.5246
            18  C1b C    13.9661   -7.2250
            19  O6a O    10.3350   -2.3238
            20  C1b C     3.0676   -6.5120
            21  O1a O     1.8554   -7.2138
            22  O5a O    12.7594   -5.1240
            23  N1b N    15.1798   -6.5261
            24  C5a C    16.3921   -7.2278
            25  C8y C    17.6059   -6.5290
            26  C8y C    18.8121   -7.2319
            27  C8y C    20.0258   -6.5331
            28  C8y C    20.0275   -5.1325
            29  C8y C    18.8153   -4.4306
            30  C8y C    17.6715   -5.1296
            31  N1c N    21.2380   -7.2350
            32  C1a C    21.2363   -8.6356
            33  C5a C    22.4519   -6.5360
            34  C1a C    23.6639   -7.2379
            35  O5a O    22.4535   -5.1353
            36  C5a C    18.8170   -3.0299
            37  O5a O    20.0309   -2.3311
            38  N1b N    17.6047   -2.3282
            39  C1a C    16.3910   -3.0270
            40  O5a O    16.3904   -8.6285
            41  X   I    18.8084   -8.6326
            42  X   I    21.2414   -4.4336
            43  X   I    16.3878   -4.4304
            44  C1a C     9.0036  -13.1102
            45  N1b N    10.2147  -12.4114
            46  C1b C    11.4259  -13.1102
            47  C1c C    12.6369  -12.4114
            48  C1c C    13.8481  -13.1102
            49  C1c C    15.0593  -12.4114
            50  C1c C    16.2704  -13.1102
            51  C1b C    17.4815  -12.4580
            52  O1a O    18.6928  -13.1567
            53  O1a O    12.6369  -11.0139
            54  O1a O    13.8481  -14.5076
            55  O1a O    15.0593  -11.0139
            56  O1a O    16.2704  -14.5541
BOND        56
            1     5   6 1
            2    17  22 2
            3     4  11 1
            4    18  23 1
            5     5  16 1
            6    23  24 1
            7     6   7 2
            8    24  25 1
            9    16  17 1
            10    7  12 1
            11   17  18 1
            12    7   8 1
            13   12  13 1
            14   25  26 2
            15   26  27 1
            16   27  28 2
            17   28  29 1
            18   29  30 2
            19   30  25 1
            20    8   3 2
            21   27  31 1
            22   13  14 1
            23   31  32 1
            24    3   4 1
            25   31  33 1
            26    6   9 1
            27   33  34 1
            28    4   5 2
            29   33  35 2
            30   12  15 2
            31   29  36 1
            32    8  10 1
            33   36  37 2
            34   36  38 1
            35    1  19 1
            36   38  39 1
            37    3   1 1
            38   24  40 2
            39   14  20 1
            40   26  41 1
            41    1   2 2
            42   28  42 1
            43   20  21 1
            44   30  43 1
            45   49  50 1
            46   46  47 1
            47   50  51 1
            48   51  52 1
            49   47  48 1
            50   47  53 1 #Down
            51   45  46 1
            52   48  54 1 #Down
            53   48  49 1
            54   49  55 1 #Down
            55   44  45 1
            56   50  56 1 #Up


entry: D04599
name: --- - Ioxaglate sodium (USAN)
formula: C24H20I6N5O8. Na
activity: Diagnostic aid [radiopaque medium]
comment: Component of Hexabrin (TN)
kcf:
ATOM        44
            1   C6a C    19.4813  -14.2930
            2   O6a O    18.2692  -13.5911
            3   C8y C    19.4803  -15.6865
            4   C8y C    20.6970  -16.3868
            5   C8y C    20.6970  -17.7875
            6   C8y C    19.4811  -18.4878
            7   C8y C    18.2722  -17.7875
            8   C8y C    18.2722  -16.3868
            9   X   I    19.4794  -19.8885
            10  X   I    17.0587  -15.6875
            11  X   I    21.9098  -15.6860
            12  C5a C    17.0587  -18.4870
            13  N1b N    15.8512  -17.7805
            14  C1b C    14.6416  -18.4809
            15  O5a O    17.0541  -19.8876
            16  N1b N    21.9067  -18.4878
            17  C5a C    23.1164  -17.7946
            18  C1b C    24.3261  -18.4950
            19  O0  O    20.6950  -13.5938 #-
            20  C1b C    13.4276  -17.7820
            21  O1a O    12.2154  -18.4838
            22  O5a O    23.1194  -16.3940
            23  N1b N    25.5398  -17.7961
            24  C5a C    26.7521  -18.4978
            25  C8y C    27.9659  -17.7990
            26  C8y C    29.1721  -18.5019
            27  C8y C    30.3858  -17.8031
            28  C8y C    30.3875  -16.4025
            29  C8y C    29.1753  -15.7006
            30  C8y C    28.0315  -16.3996
            31  N1c N    31.5980  -18.5050
            32  C1a C    31.5963  -19.9056
            33  C5a C    32.8119  -17.8060
            34  C1a C    34.0239  -18.5079
            35  O5a O    32.8135  -16.4053
            36  C5a C    29.1770  -14.2999
            37  O5a O    30.3909  -13.6011
            38  N1b N    27.9647  -13.5982
            39  C1a C    26.7510  -14.2970
            40  O5a O    26.7504  -19.8985
            41  X   I    29.1684  -19.9026
            42  X   I    31.6014  -15.7036
            43  X   I    26.7478  -15.7004
            44  Z   Na   20.5800  -12.1800 #+
BOND        44
            1     5   6 1
            2    17  22 2
            3     4  11 1
            4    18  23 1
            5     5  16 1
            6    23  24 1
            7     6   7 2
            8    24  25 1
            9    16  17 1
            10    7  12 1
            11   17  18 1
            12    7   8 1
            13   12  13 1
            14   25  26 2
            15   26  27 1
            16   27  28 2
            17   28  29 1
            18   29  30 2
            19   30  25 1
            20    8   3 2
            21   27  31 1
            22   13  14 1
            23   31  32 1
            24    3   4 1
            25   31  33 1
            26    6   9 1
            27   33  34 1
            28    4   5 2
            29   33  35 2
            30   12  15 2
            31   29  36 1
            32    8  10 1
            33   36  37 2
            34   36  38 1
            35    1  19 1
            36   38  39 1
            37    3   1 1
            38   24  40 2
            39   14  20 1
            40   26  41 1
            41    1   2 2
            42   28  42 1
            43   20  21 1
            44   30  43 1


entry: D04600
name: --- - Ioxotrizoic acid (USAN)
formula: C11H9I3N2O5
activity: Diagnostic aid [radiopaque medium]
kcf:
ATOM        21
            1   C8y C    24.3137  -16.3662
            2   C8y C    24.3209  -17.7662
            3   C8y C    23.1120  -18.4723
            4   C8y C    21.8959  -17.7784
            5   C8y C    21.8890  -16.3784
            6   C8y C    23.0977  -15.6723
            7   X   I    20.6729  -15.6845
            8   X   I    23.1189  -19.8723
            9   X   I    25.5227  -15.6601
            10  C6a C    23.0908  -14.2723
            11  O6a O    21.8747  -13.5785
            12  O6a O    24.2997  -13.5662
            13  N1b N    20.6870  -18.4845
            14  C5a C    19.4713  -17.7906
            15  C1b C    18.2623  -18.4967
            16  N1b N    25.5367  -18.4601
            17  C5a C    26.7456  -17.7538
            18  C1a C    27.9615  -18.4477
            19  O5a O    26.7385  -16.3540
            20  O1a O    17.0451  -17.8020
            21  O5a O    19.4643  -16.3800
BOND        21
            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     5   7 1
            9    13  14 1
            10    1   2 2
            11   14  15 1
            12    3   8 1
            13    2  16 1
            14    2   3 1
            15   16  17 1
            16    1   9 1
            17   17  18 1
            18    3   4 2
            19   17  19 2
            20   15  20 1
            21   14  21 2


entry: D04601
name: --- - Ipazilide fumarate (USAN)
formula: C24H30N4O. C4H4O4
activity: Cardiac depressant [anti-arrhythmic]
kcf:
ATOM        37
            1   C8x C     8.0269   -8.0228
            2   C8y C     6.6166   -8.0228
            3   C8y C     6.1935   -6.6830
            4   N4y N     7.3218   -5.8368
            5   N5x N     8.4500   -6.6830
            6   C1b C     7.3218   -4.4265
            7   C8y C     4.8537   -6.2599
            8   C8y C     5.7704   -9.1510
            9   C8x C     3.7960   -7.1766
            10  C8x C     2.4562   -6.7535
            11  C8x C     2.1742   -5.4137
            12  C8x C     3.2319   -4.4265
            13  C8x C     4.5717   -4.8496
            14  C8x C     6.3346  -10.4203
            15  C8x C     5.5589  -11.5486
            16  C8x C     4.1486  -11.4075
            17  C8x C     3.5845  -10.1383
            18  C8x C     4.3601   -9.0100
            19  C5a C     8.5431   -3.7214
            20  N1b N     9.7474   -4.4169
            21  O5a O     8.5432   -2.3113
            22  C1b C    10.9435   -3.7263
            23  C1b C    12.1435   -4.4194
            24  C1b C    13.3417   -3.7276
            25  N1c N    14.5406   -4.4200
            26  C1b C    15.7395   -3.7279
            27  C1a C    16.9380   -4.4202
            28  C1b C    14.5406   -5.8366
            29  C1a C    15.7423   -6.5305
            30  C2b C    22.4689   -8.7107
            31  C2b C    23.6776   -8.0140
            32  C6a C    21.2518   -8.0223
            33  C6a C    24.8865   -8.7107
            34  O6a O    20.0433   -8.7190
            35  O6a O    21.2518   -6.6207
            36  O6a O    26.1033   -8.0055
            37  O6a O    24.8947  -10.1123
BOND        38
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     4   6 1
            7     3   7 1
            8     2   8 1
            9     7   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    7  13 1
            15    8  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20    8  18 1
            21    6  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   25  26 1
            29   26  27 1
            30   25  28 1
            31   28  29 1
            32   30  31 2
            33   30  32 1
            34   31  33 1
            35   32  34 1
            36   32  35 2
            37   33  36 1
            38   33  37 2


entry: D04602
name: --- - Ipexidine mesylate (USAN)
formula: C26H54N10O2. (CH4SO3)2
activity: Dental caries prophylactic
kcf:
ATOM        48
            1   C1x C    14.9100  -16.6600
            2   C1x C    14.9100  -18.0600
            3   N1y N    16.1224  -18.7600
            4   C1x C    17.3349  -18.0600
            5   C1x C    17.3349  -16.6600
            6   N1y N    16.1224  -15.9600
            7   C1b C    16.1224  -14.5602
            8   C1b C    16.1224  -20.1598
            9   C1b C    17.3180  -13.8698
            10  C1b C    17.3180  -20.8502
            11  C1b C    18.5052  -14.5552
            12  N1b N    19.6966  -13.8672
            13  C2c C    20.8859  -14.5539
            14  N1b N    22.0724  -13.8600
            15  C5a C    23.2849  -14.5600
            16  N1b N    24.4973  -13.8600
            17  C1b C    25.7097  -14.5600
            18  C1b C    26.9222  -13.8600
            19  C1b C    28.1346  -14.5600
            20  C1b C    29.3470  -13.8600
            21  C1b C    30.5595  -14.5600
            22  C1a C    31.7719  -13.8600
            23  C1b C    18.5024  -20.1600
            24  N1b N    19.7149  -20.8600
            25  C2c C    20.9273  -20.1600
            26  N1b N    22.1397  -20.8600
            27  C5a C    23.3522  -20.1600
            28  N1b N    24.5646  -20.8600
            29  C1b C    25.7770  -20.1600
            30  C1b C    26.9895  -20.8600
            31  C1b C    28.2019  -20.1600
            32  C1b C    29.4144  -20.8600
            33  C1b C    30.6268  -20.1600
            34  C1a C    31.8392  -20.8600
            35  N2a N    20.8900  -15.9597
            36  O5a O    23.2849  -15.9598
            37  N2a N    20.9273  -18.7600
            38  O5a O    23.3522  -18.7603
            39  S4a S    37.5059  -17.5144
            40  C1a C    36.1068  -17.5144
            41  O1d O    38.9050  -17.5144
            42  O3c O    37.5059  -16.1153
            43  O3c O    37.5059  -18.9136
            44  S4a S    37.5059  -17.5144
            45  C1a C    36.1068  -17.5144
            46  O1d O    38.9050  -17.5144
            47  O3c O    37.5059  -16.1153
            48  O3c O    37.5059  -18.9136
BOND        46
            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     6   7 1
            8     3   8 1
            9     7   9 1
            10    8  10 1
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   10  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   32  33 1
            34   33  34 1
            35   13  35 2
            36   15  36 2
            37   25  37 2
            38   27  38 2
            39   39  40 1
            40   39  41 1
            41   39  42 2
            42   39  43 2
            43   44  45 1
            44   44  46 1
            45   44  47 2
            46   44  48 2


entry: D04605
name: --- - Iprindole (USAN)
formula: C19H28N2
activity: Antidepressant
kcf:
ATOM        21
            1   C1x C    19.4354  -13.5205
            2   C1x C    20.8361  -13.5205
            3   C8y C    21.8285  -14.5057
            4   C8y C    21.8285  -15.9064
            5   C1x C    20.8361  -16.8988
            6   C1x C    19.4354  -16.8988
            7   C1x C    18.4500  -15.9064
            8   C1x C    18.4500  -14.5057
            9   N4y N    23.1606  -16.3393
            10  C8y C    23.9839  -15.2061
            11  C8y C    23.1606  -14.0729
            12  C8x C    25.3758  -15.0598
            13  C8x C    25.9451  -13.7813
            14  C8x C    25.1218  -12.6480
            15  C8x C    23.7299  -12.7944
            16  C1b C    23.5833  -17.6394
            17  C1b C    24.9502  -17.9297
            18  C1b C    25.3816  -19.2554
            19  N1c N    26.7674  -19.5497
            20  C1a C    27.7314  -18.4781
            21  C1a C    27.1962  -20.8665
BOND        23
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   1 1
            9     4   9 1
            10    9  10 1
            11   10  11 1
            12    3  11 1
            13   10  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   11  15 2
            18    9  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 1


entry: D04607
name: --- - Iprofenin (USAN)
formula: C15H20N2O5
activity: Diagnostic aid [hepatic function determination]
kcf:
ATOM        22
            1   C8x C    13.2300  -14.7700
            2   C8y C    13.2300  -16.1700
            3   C8x C    14.4424  -16.8700
            4   C8x C    15.6549  -16.1700
            5   C8y C    15.6549  -14.7700
            6   C8x C    14.4424  -14.0700
            7   C1c C    12.0176  -16.8700
            8   N1b N    16.8860  -14.0590
            9   C5a C    18.0912  -14.7547
            10  C1a C    10.8221  -16.1796
            11  C1a C    12.0175  -18.2698
            12  C1b C    19.2735  -14.0719
            13  O5a O    18.0916  -16.1696
            14  N1c N    20.4675  -14.7612
            15  C1b C    21.6554  -14.0752
            16  C1b C    20.4677  -16.1697
            17  C6a C    21.6555  -12.6702
            18  O6a O    22.8488  -11.9811
            19  O6a O    20.4240  -11.9590
            20  C6a C    21.6594  -16.8578
            21  O6a O    22.8445  -16.1735
            22  O6a O    21.6597  -18.2697
BOND        22
            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     2   7 1
            8     5   8 1
            9     8   9 1
            10    7  10 1
            11    7  11 1
            12    9  12 1
            13    9  13 2
            14   12  14 1
            15   14  15 1
            16   14  16 1
            17   15  17 1
            18   17  18 1
            19   17  19 2
            20   16  20 1
            21   20  21 1
            22   20  22 2


entry: D04608
name: --- - Ipronidazole (USAN)
formula: C7H11N3O2
activity: Antiprotozoal [Histomonas]
kcf:
ATOM        12
            1   C8x C    19.4005  -17.4427
            2   C8y C    20.8014  -17.4427
            3   N4y N    21.2343  -16.1104
            4   C8y C    20.1010  -15.2869
            5   N5x N    18.9677  -16.1104
            6   N2b N    21.6248  -18.5760 #+
            7   O0  O    20.4117  -19.2765 #-
            8   O3a O    22.6155  -19.5667
            9   C1c C    20.1010  -13.8705
            10  C1a C    22.4349  -15.4114
            11  C1a C    21.3096  -13.1726
            12  C1a C    18.8758  -13.1631
BOND        12
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     2   6 1
            7     6   7 1
            8     6   8 2
            9     4   9 1
            10    3  10 1
            11    9  11 1
            12    9  12 1


entry: D04610
name: --- - Iproxamine hydrochloride (USAN)
formula: C18H29NO4. HCl
activity: Vasodilator
kcf:
ATOM        24
            1   C8y C    19.7001  -17.4411
            2   C8y C    18.4888  -18.1457
            3   C8x C    19.7001  -16.0434
            4   O2a O    20.9115  -18.1457
            5   C8x C    17.2716  -17.4411
            6   C1c C    18.4888  -19.5435
            7   C8y C    18.4888  -15.3446
            8   C1b C    22.1285  -17.4411
            9   C8y C    17.2774  -16.0493
            10  C1a C    18.4829  -13.9411
            11  C1b C    23.3399  -18.1457
            12  O7a O    16.0718  -15.3505
            13  N1c N    24.5571  -17.4411
            14  C7a C    14.8606  -16.0493
            15  C1a C    25.7626  -18.1457
            16  O7a O    13.6434  -15.3505
            17  O7a O    14.8606  -17.4470
            18  C1c C    12.4465  -16.0452
            19  C1a C    11.2362  -15.3501
            20  C1a C    12.4498  -17.4300
            21  C1a C    17.2757  -20.2439
            22  C1a C    19.6888  -20.2362
            23  C1a C    24.5600  -16.0300
            24  X   Cl   29.7733  -17.4067
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     7  10 1
            10    8  11 1
            11    9  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   14  17 2
            17    7   9 1
            18   16  18 1
            19   18  19 1
            20   18  20 1
            21    6  21 1
            22    6  22 1
            23   13  23 1


entry: D04611
name: --- - Ipsapirone hydrochloride (USAN)
formula: C19H23N5O3S. HCl
activity: Anti-anxiety agent
kcf:
ATOM        29
            1   C8x C    10.2200  -15.7500
            2   C8x C    10.2200  -17.1500
            3   C8x C    11.4324  -17.8500
            4   N5x N    12.6449  -17.1500
            5   C8y C    12.6449  -15.7500
            6   N5x N    11.4324  -15.0500
            7   N1y N    13.8760  -15.0390
            8   C1x C    15.0812  -15.7347
            9   C1x C    16.2935  -15.0346
            10  N1y N    16.2935  -13.6346
            11  C1x C    15.0883  -12.9389
            12  C1x C    13.8759  -13.6390
            13  C1b C    17.5114  -12.9312
            14  C1b C    18.7234  -13.6307
            15  C1b C    19.9023  -12.9498
            16  C1b C    21.0981  -13.6402
            17  N1y N    22.2851  -12.9547
            18  C5x C    23.5414  -13.5140
            19  C8y C    24.4615  -12.4920
            20  C8y C    23.7739  -11.3011
            21  S2x S    22.4288  -11.5870
            22  O3c O    22.4288  -10.1870
            23  O3c O    21.0288  -11.5870
            24  O5x O    23.8306  -14.8751
            25  C8x C    25.8615  -12.4920
            26  C8x C    26.5615  -11.2795
            27  C8x C    25.8739  -10.0886
            28  C8x C    24.4739  -10.0886
            29  X   Cl   27.3000  -14.2100
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     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14   10  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   17  21 1
            24   21  22 2
            25   21  23 2
            26   18  24 2
            27   19  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   20  28 1


entry: D04612
name: --- - Iratumumab (USAN)
activity:
Oncological diseases; Treatment of relapsed or refractory CD30 positive lymphoma including Hodgkin's disease


entry: D04614
name: --- - Irofulven (USAN)
formula: C15H18O3
activity: Antineoplastic [DNA synthesis inhibitor / apoptosis inducer]
kcf:
ATOM        18
            1   C1z C    39.3768  -25.0249
            2   C1z C    39.3768  -26.4284
            3   C2y C    40.5698  -27.1302
            4   C2y C    41.8329  -26.4284
            5   C2y C    41.8329  -25.0249
            6   C5x C    40.5698  -24.3232
            7   C2y C    43.1663  -26.8495
            8   C2y C    43.9382  -25.7267
            9   C2x C    43.1663  -24.6039
            10  O5x O    40.5698  -22.9197
            11  C1a C    40.5698  -28.5336
            12  C1x C    38.0435  -26.7091
            13  C1x C    38.9558  -27.7617
            14  C1a C    38.1585  -24.3281
            15  O1a O    38.1614  -25.7267
            16  C1a C    45.3417  -25.7267
            17  C1b C    43.6228  -28.1767
            18  O1a O    45.0350  -28.4515
BOND        20
            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    5   9 2
            11    6  10 2
            12    3  11 1
            13   12  13 1
            14   13   2 1
            15    2  12 1
            16    1  14 1 #Down
            17    1  15 1 #Up
            18    8  16 1
            19    7  17 1
            20   17  18 1


entry: D04617
name: --- - Irtemazole (USAN)
formula: C18H16N4
activity: Uricosuric
kcf:
ATOM        22
            1   C8y C    19.8100  -13.8600
            2   C8x C    19.8100  -15.2600
            3   C8x C    21.0224  -15.9600
            4   C8y C    22.2349  -15.2600
            5   C8y C    22.2349  -13.8600
            6   C8x C    21.0224  -13.1600
            7   N5x N    23.5664  -15.6926
            8   C8y C    24.3893  -14.5600
            9   N4x N    23.5664  -13.4274
            10  C1a C    25.7600  -14.5600
            11  C1c C    18.5976  -13.1600
            12  N4y N    17.4021  -13.8504
            13  C8y C    18.5975  -11.7602
            14  C8x C    19.8267  -11.0502
            15  C8x C    19.8265   -9.6502
            16  C8x C    18.6139   -8.9504
            17  C8x C    17.3847   -9.6604
            18  C8x C    17.3849  -11.0604
            19  C8x C    16.1499  -13.2930
            20  N5x N    15.2329  -14.3116
            21  C8x C    15.9183  -15.4985
            22  C8x C    17.2589  -15.2135
BOND        25
            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 2
            9     8   9 1
            10    5   9 1
            11    8  10 1
            12    1  11 1
            13   11  12 1
            14   11  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   12  19 1
            22   19  20 2
            23   20  21 1
            24   21  22 2
            25   12  22 1


entry: D04618
name: --- - Isamoxole (USAN)
formula: C12H20N2O2
activity: Anti-asthmatic
kcf:
ATOM        16
            1   C8y C    15.7500  -17.3600
            2   N5x N    17.1500  -17.3600
            3   C8y C    17.5826  -16.0285
            4   O2x O    16.4500  -15.2056
            5   C8x C    15.3174  -16.0285
            6   C1a C    14.9271  -18.4926
            7   N1c N    18.9022  -15.5997
            8   C1b C    19.9465  -16.5399
            9   C5a C    19.1911  -14.2406
            10  C1c C    20.5211  -13.8084
            11  O5a O    18.1292  -13.2849
            12  C1a C    20.8155  -12.4237
            13  C1a C    21.5463  -14.7313
            14  C1b C    21.2869  -16.1045
            15  C1b C    22.3212  -17.0359
            16  C1a C    23.6682  -16.5986
BOND        16
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     1   6 1
            7     3   7 1
            8     7   8 1
            9     7   9 1
            10    9  10 1
            11    9  11 2
            12   10  12 1
            13   10  13 1
            14    8  14 1
            15   14  15 1
            16   15  16 1


entry: D04619
name: --- - Isatoribine (USAN) - Isatoribine monohydrate - Immusine (TN)
formula: C10H12N4O6S. H2O
activity: Immunomodulator [regulates cell growth by pertubing signal transduction]
kcf:
ATOM        22
            1   N5x N    37.3568  -23.3576
            2   C8y C    37.3568  -24.7618
            3   N4x N    38.5728  -25.4638
            4   C8y C    39.7889  -24.7618
            5   C8y C    39.7889  -23.3576
            6   C8y C    38.5728  -22.6556
            7   N4y N    41.1243  -25.1956
            8   C8y C    41.9496  -24.0597
            9   S2x S    41.1243  -22.9238
            10  O5x O    43.3243  -24.0597
            11  O5x O    38.5728  -21.2516
            12  N1a N    36.1408  -25.4638
            13  C1y C    41.5566  -26.5263
            14  C1y C    40.7402  -27.6502
            15  C1y C    41.5569  -28.7740
            16  C1y C    42.8780  -28.3447
            17  O2x O    42.8779  -26.9555
            18  C1b C    44.0292  -29.1810
            19  O1a O    41.1275  -30.0963
            20  O1a O    39.3226  -27.6505
            21  O1a O    45.3083  -28.6117
            22  O0  O    47.2559  -25.7446
BOND        23
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    8  10 2
            12    6  11 2
            13    2  12 1
            14   13   7 1 #Down
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   13  17 1
            20   16  18 1 #Down
            21   15  19 1 #Up
            22   14  20 1 #Up
            23   18  21 1


entry: D04620
name: --- - Iseganan hydrochloride (USAN)
activity:
Antimicrobial peptide intended for use in the reduction in the severity of oral mucositis; Oral decontamination in ventilator-associated pneumonia; Aerosol formulation for control of infections in patients with cystic fibrosis


entry: D04622
name: --- - Isobutamben (USAN)
formula: C11H15NO2
activity: Anesthetic [topical]
kcf:
ATOM        14
            1   C8y C    22.5227  -16.7123
            2   C7a C    23.7348  -17.4056
            3   C8x C    22.5227  -15.3079
            4   C8x C    21.3107  -17.4115
            5   O7a O    24.9467  -16.7123
            6   O7a O    23.7348  -18.8099
            7   C8x C    21.3107  -14.6029
            8   C8x C    20.1046  -16.7180
            9   C1b C    26.1586  -17.3998
            10  C8y C    20.0987  -15.3079
            11  C1c C    27.3706  -16.7064
            12  N1a N    18.8810  -14.6087
            13  C1a C    28.5901  -17.4166
            14  C1a C    27.3759  -15.3300
BOND        14
            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     5   9 1
            9     7  10 1
            10    9  11 1
            11   10  12 1
            12    8  10 2
            13   11  13 1
            14   11  14 1


entry: D04623
name: --- - Isobutane (NF)
formula: C4H10
activity: Aerosol propellant
kcf:
ATOM        4
            1   C1a C    14.6300  -15.1200
            2   C1c C    15.8424  -14.4200
            3   C1a C    17.0549  -15.1200
            4   C1a C    15.8424  -13.0202
BOND        3
            1     1   2 1
            2     2   3 1
            3     2   4 1


entry: D04624
name: --- - Isoconazole (USAN)
formula: C18H14Cl4N2O
activity: Antibacterial; Antifungal
kcf:
ATOM        25
            1   C8y C    21.1958  -16.7450
            2   C1c C    21.2016  -15.3488
            3   C8y C    19.9799  -17.4373
            4   C8x C    22.4058  -17.4432
            5   C1b C    22.4174  -14.6506
            6   O2a O    19.9915  -14.6389
            7   C8x C    19.9740  -18.8336
            8   X   Cl   18.7698  -16.7333
            9   C8x C    22.3999  -18.8451
            10  N4y N    23.6275  -15.3604
            11  C1b C    18.7756  -15.3371
            12  C8y C    21.1842  -19.5433
            13  C8x C    24.9132  -14.8020
            14  C8x C    23.7672  -16.7507
            15  C8y C    17.5655  -14.6332
            16  X   Cl   21.1783  -20.9395
            17  C8x C    25.8383  -15.8375
            18  N5x N    25.1343  -17.0475
            19  C8y C    16.3612  -15.3314
            20  C8y C    17.5771  -13.2370
            21  C8x C    15.1512  -14.6273
            22  X   Cl   16.3554  -16.7275
            23  C8x C    16.3728  -12.5329
            24  C8x C    15.1571  -13.2253
            25  X   Cl   18.7872  -12.5495
BOND        27
            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     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    7  12 2
            12   10  13 1
            13   10  14 1
            14   11  15 1
            15   12  16 1
            16   13  17 2
            17   14  18 2
            18   15  19 1
            19   15  20 2
            20   19  21 2
            21   19  22 1
            22   20  23 1
            23   21  24 1
            24    9  12 1
            25   17  18 1
            26   23  24 2
            27   20  25 1


entry: D04625
name: --- - Isoetharine (USP)
formula: C13H21NO3
activity: Bronchodilator
remark: Same as: C07053
kcf:
ATOM        17
            1   C8y C    21.9215  -17.4453
            2   C1c C    23.1342  -18.1483
            3   C8x C    21.9215  -16.0452
            4   C8x C    20.7146  -18.1483
            5   C1c C    24.3529  -17.4453
            6   O1a O    23.0701  -19.5427
            7   C8y C    20.7146  -15.3421
            8   C8x C    19.4960  -17.4453
            9   N1b N    25.5656  -18.1426
            10  C1b C    24.3529  -16.0392
            11  C8y C    19.4960  -16.0452
            12  O1a O    20.7203  -13.9359
            13  C1c C    26.7842  -17.4395
            14  O1a O    18.2891  -15.3421
            15  C1a C    27.9969  -18.1426
            16  C1a C    26.7783  -16.0392
            17  C1a C    25.5402  -15.3537
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    7  11 1
            11    7  12 1
            12    9  13 1
            13   11  14 1
            14   13  15 1
            15   13  16 1
            16    8  11 2
            17   10  17 1


entry: D04626
name: --- - Isoetharine mesylate (USP) - Bronkometer (TN)
formula: C13H21NO3. CH4SO3
activity: Bronchodilator
kcf:
ATOM        22
            1   C8y C     6.7316   -7.0154
            2   C1c C     7.9443   -7.7184
            3   C8x C     6.7316   -5.6153
            4   C8x C     5.5247   -7.7184
            5   C1c C     9.1630   -7.0154
            6   O1a O     7.8802   -9.1128
            7   C8y C     5.5247   -4.9122
            8   C8x C     4.3061   -7.0154
            9   N1b N    10.3757   -7.7127
            10  C1b C     9.1630   -5.6093
            11  C8y C     4.3061   -5.6153
            12  O1a O     5.5304   -3.5060
            13  C1c C    11.5944   -7.0096
            14  O1a O     3.0992   -4.9122
            15  C1a C    12.8071   -7.7127
            16  C1a C    11.5885   -5.6093
            17  C1a C    10.3503   -4.9238
            18  O3c O    18.5591   -5.2163
            19  S4a S    18.5591   -6.6133
            20  C1a C    17.1622   -6.6133
            21  O1d O    19.9561   -6.6133
            22  O3c O    18.5591   -8.0102
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    7  11 1
            11    7  12 1
            12    9  13 1
            13   11  14 1
            14   13  15 1
            15   13  16 1
            16    8  11 2
            17   10  17 1
            18   18  19 2
            19   19  20 1
            20   19  21 1
            21   19  22 2


entry: D04627
name: --- - Isoflupredone acetate (USAN)
formula: C23H29FO6
activity: Anti-inflammatory
remark: Same as: C14636
kcf:
ATOM        30
            1   C2x C    17.7911  -18.8784
            2   C5x C    17.7911  -20.2367
            3   C2x C    18.9672  -20.9157
            4   C2y C    20.1435  -20.2367
            5   C1z C    20.1435  -18.8784
            6   C2x C    18.9672  -18.1994
            7   C1x C    21.3196  -20.9157
            8   C1x C    22.4958  -20.2367
            9   C1y C    22.4958  -18.8784
            10  C1z C    21.3196  -18.1994
            11  C1y C    23.6721  -18.1994
            12  C1z C    23.6721  -16.8413
            13  C1x C    22.4958  -16.1622
            14  C1y C    21.3196  -16.8413
            15  C1x C    26.0243  -18.1994
            16  C1x C    26.0243  -16.8413
            17  C1z C    24.8481  -16.1622
            18  X   F    21.3222  -19.5575
            19  C1a C    23.6990  -15.4832
            20  C5a C    24.8533  -14.5950
            21  C1a C    20.1405  -17.4813
            22  C1b C    26.0354  -13.9187
            23  O1a O    20.1205  -16.1490
            24  O7a O    27.2250  -14.6119
            25  O1a O    26.1518  -15.8037
            26  O5x O    16.5733  -20.9401
            27  O5a O    23.6329  -13.8837
            28  C7a C    28.4180  -13.9293
            29  C1a C    29.5986  -14.6171
            30  O7a O    28.4237  -12.5194
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 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   10  18 1 #Down
            22   12  19 1 #Up
            23   17  20 1 #Up
            24    5  21 1 #Up
            25   20  22 1
            26   14  23 1 #Up
            27   22  24 1
            28   17  25 1 #Down
            29    2  26 2
            30   20  27 2
            31   24  28 1
            32   28  29 1
            33   28  30 2


entry: D04628
name: --- - Isomazole hydrochloride (USAN)
formula: C14H13N3O2S. HCl
activity: Cardiotonic
kcf:
ATOM        21
            1   C8y C    23.1193  -16.4372
            2   C8y C    23.1136  -15.0477
            3   N4x N    21.7998  -16.8732
            4   C8x C    24.3286  -17.1347
            5   N5x N    21.7939  -14.6233
            6   C8x C    24.3286  -14.3500
            7   C8y C    20.9742  -15.7453
            8   C8x C    25.5261  -16.4372
            9   N5x N    25.5261  -15.0477
            10  C8y C    19.6000  -15.7460
            11  C8x C    18.9011  -14.5369
            12  C8x C    17.5011  -14.5377
            13  C8y C    16.8017  -15.7505
            14  C8x C    17.5006  -16.9596
            15  C8y C    18.9006  -16.9588
            16  O2a O    19.5930  -18.1564
            17  C1a C    18.9068  -19.3463
            18  S4a S    15.4000  -15.7512
            19  O3c O    14.6988  -14.5382
            20  C1a C    14.7012  -16.9631
            21  X   Cl   28.4200  -15.7500
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     6   9 1
            9     5   7 2
            10    8   9 2
            11    7  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   15  16 1
            19   16  17 1
            20   13  18 1
            21   18  19 2
            22   18  20 1


entry: D04630
name: --- - Isomolpan hydrochloride (USAN)
formula: C15H21NO2. HCl
activity: Antipsychotic [dopamine autoreceptor agonist]
kcf:
ATOM        19
            1   C8y C    35.4291  -26.0524
            2   C8x C    35.4291  -27.4534
            3   C8x C    36.6424  -28.1538
            4   C8y C    37.8557  -27.4534
            5   C8y C    37.8557  -26.0524
            6   C8x C    36.6424  -25.3520
            7   O2x O    39.0689  -28.1538
            8   C1x C    40.2821  -27.4534
            9   C1y C    40.2821  -26.0524
            10  C1y C    39.0689  -25.3520
            11  N1y N    41.4954  -25.3520
            12  C1x C    41.4954  -23.9510
            13  C1x C    40.2821  -23.2506
            14  C1x C    39.0689  -23.9510
            15  C1b C    42.7293  -26.0646
            16  C1b C    43.9363  -25.3680
            17  C1a C    45.1189  -26.0509
            18  O1a O    34.2045  -25.3454
            19  X   Cl   49.0703  -26.1101
BOND        20
            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    1  18 1


entry: D04631
name: --- - Isomylamine hydrochloride (USAN)
formula: C18H35NO2. HCl
activity: Relaxant [smooth muscle]
kcf:
ATOM        22
            1   C1x C    13.3000  -16.5200
            2   C1x C    13.3000  -17.9200
            3   C1z C    14.5124  -18.6200
            4   C1x C    15.7249  -17.9200
            5   C1x C    15.7249  -16.5200
            6   C1x C    14.5124  -15.8200
            7   C1b C    13.3000  -19.3200
            8   C7a C    15.7249  -19.3200
            9   O7a O    16.9560  -18.6090
            10  O7a O    15.7250  -20.7198
            11  C1b C    18.1612  -19.3047
            12  C1b C    19.3435  -18.6219
            13  N1c N    20.5375  -19.3112
            14  C1b C    21.7254  -18.6252
            15  C1b C    20.5377  -20.7197
            16  C1a C    21.7294  -21.4078
            17  C1a C    22.9165  -19.3129
            18  C1b C    12.0876  -18.6200
            19  C1c C    10.8921  -19.3104
            20  C1a C     9.7047  -18.6249
            21  C1a C    10.8920  -20.7197
            22  X   Cl   27.2300  -20.2300
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     3   7 1
            8     3   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   13  15 1
            16   15  16 1
            17   14  17 1
            18    7  18 1
            19   18  19 1
            20   19  20 1
            21   19  21 1


entry: D04632
name: --- - Isopropyl palmitate (NF)
formula: C19H38O2
activity: Pharmaceutic aid [vehicle, oleaginous]
kcf:
ATOM        21
            1   O7a O    17.0560  -15.6790
            2   C7a C    17.0560  -17.0789
            3   O7a O    15.8436  -17.7789
            4   C1c C    14.6306  -17.0785
            5   C1a C    13.4174  -17.7791
            6   C1a C    14.6306  -15.6790
            7   C1b C    18.2684  -17.7789
            8   C1b C    19.4807  -17.0789
            9   C1b C    20.6931  -17.7789
            10  C1b C    21.9054  -17.0789
            11  C1b C    23.1177  -17.7789
            12  C1b C    24.3301  -17.0789
            13  C1b C    25.5424  -17.7789
            14  C1b C    26.7549  -17.0789
            15  C1b C    27.9672  -17.7789
            16  C1b C    29.1795  -17.0789
            17  C1b C    30.3919  -17.7789
            18  C1b C    31.6043  -17.0789
            19  C1b C    32.8165  -17.7789
            20  C1b C    34.0386  -17.0734
            21  C1a C    35.2398  -17.7671
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 1
            6     2   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  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


entry: D04633
name: --- - Isostearyl alcohol (USAN) - Witcohol 66 (TN)
formula: C18H38O
activity: Pharmaceutic aid [emollient]; Pharmaceutic aid [solvent]
kcf:
ATOM        19
            1   C1a C     9.2400  -13.3700
            2   C1c C    10.4524  -12.6700
            3   C1b C    11.6649  -13.3700
            4   C1b C    12.8773  -12.6700
            5   C1b C    14.0897  -13.3700
            6   C1b C    15.3022  -12.6700
            7   C1b C    16.5146  -13.3700
            8   C1b C    17.7270  -12.6700
            9   C1b C    18.9395  -13.3700
            10  C1b C    20.1519  -12.6700
            11  C1b C    21.3644  -13.3700
            12  C1b C    22.5768  -12.6700
            13  C1b C    23.7892  -13.3700
            14  C1b C    25.0017  -12.6700
            15  C1b C    26.2141  -13.3700
            16  C1b C    27.4265  -12.6700
            17  C1b C    28.6390  -13.3700
            18  C1a C    10.4524  -11.2702
            19  O1a O    29.8447  -12.6739
BOND        18
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17    2  18 1
            18   17  19 1


entry: D04634
name: --- - Isosulfan blue (USAN) - Lymphazurin (TN)
formula: C27H31N2O6S2. Na
activity: Diagnostic aid [lymphangiography]
kcf:
ATOM        38
            1   C2x C    13.1600  -17.3600
            2   C2x C    13.1600  -18.7600
            3   C2y C    14.3724  -19.4600
            4   C2x C    15.5849  -18.7600
            5   C2x C    15.5849  -17.3600
            6   C2y C    14.3724  -16.6600
            7   N2b N    14.3724  -15.2602 #+
            8   C2c C    14.3724  -20.8598
            9   C8y C    13.1432  -21.5697
            10  C8y C    16.3380  -22.2502
            11  C8x C    11.9392  -20.8746
            12  C8x C    10.7268  -21.5746
            13  C8y C    10.7269  -22.9746
            14  C8x C    11.9308  -23.6697
            15  C8x C    13.1432  -22.9697
            16  C8x C    16.3381  -23.6597
            17  C8y C    17.5506  -24.3596
            18  C8x C    18.7630  -23.6595
            19  C8x C    18.7629  -22.2500
            20  C8y C    17.5504  -21.5501
            21  C1b C    13.1432  -14.5503
            22  C1b C    15.5680  -14.5698
            23  N1c N     9.5083  -23.6783
            24  C1b C     8.2968  -22.9790
            25  C1b C     9.5086  -25.0600
            26  C1a C     8.3049  -25.7553
            27  C1a C     7.1175  -23.6600
            28  C1a C    13.1434  -13.1601
            29  C1a C    15.5682  -13.1603
            30  S4a S    17.5505  -20.1601
            31  S4a S    17.5507  -25.7599
            32  O0  O    17.5505  -18.7601 #-
            33  O3c O    18.9700  -20.1602
            34  O3c O    16.1700  -20.1601
            35  O0  O    17.5507  -27.1599 #-
            36  O3c O    18.9700  -25.7598
            37  O3c O    16.1700  -25.7599
            38  Z   Na   21.9800  -20.3000 #+
BOND        39
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     3   8 2
            9     8   9 1
            10    8  10 1
            11    9  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16    9  15 1
            17   10  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   10  20 1
            23    7  21 1
            24    7  22 1
            25   13  23 1
            26   23  24 1
            27   23  25 1
            28   25  26 1
            29   24  27 1
            30   21  28 1
            31   22  29 1
            32   20  30 1
            33   17  31 1
            34   30  32 1
            35   30  33 2
            36   30  34 2
            37   31  35 1
            38   31  36 2
            39   31  37 2


entry: D04635
name: --- - Isotiquimide (USAN)
formula: C11H14N2S
activity: Anti-ulcerative
kcf:
ATOM        14
            1   C8x C    14.9800  -18.9000
            2   C8x C    14.9800  -17.5000
            3   C8y C    16.1700  -16.8000
            4   C8y C    17.4300  -17.5000
            5   C8y C    17.4300  -18.9000
            6   N5x N    16.1700  -19.6000
            7   C1x C    18.6200  -16.8000
            8   C1x C    19.8100  -17.5000
            9   C1x C    19.8100  -18.9000
            10  C1y C    18.6200  -19.6000
            11  C1a C    16.1700  -15.4000
            12  C2c C    18.6200  -21.0000
            13  N1a N    17.4076  -21.7000
            14  S0  S    19.8324  -21.7000
BOND        15
            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    3  11 1
            13   10  12 1
            14   12  13 1
            15   12  14 2


entry: D04637
name: --- - Isovaleramide (USAN)
formula: C5H11NO
activity: Anxiolytic; Anticonvulsant; Antispastic; Antimigraine; Mood stabilizer and analgesic
kcf:
ATOM        7
            1   C1a C    16.4500  -12.9500
            2   C1c C    17.6624  -12.2500
            3   C1b C    18.8749  -12.9500
            4   C5a C    20.0873  -12.2500
            5   N1a N    21.2997  -12.9500
            6   C1a C    17.6624  -10.8502
            7   O5a O    20.0873  -10.8500
BOND        6
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 1
            6     4   7 2


entry: D04638
name: --- - Isoxepac (USAN) - Artil (TN)
formula: C16H12O4
activity: Anti-inflammatory
kcf:
ATOM        20
            1   C8y C    21.7623  -15.7146
            2   C5x C    23.0270  -15.1236
            3   C8y C    24.2855  -15.7382
            4   C8y C    24.5858  -17.0956
            5   C8y C    21.4411  -17.0864
            6   O2x O    23.7117  -18.1924
            7   C1x C    22.3103  -18.1844
            8   O5x O    23.0390  -13.7200
            9   C8x C    25.9208  -17.5171
            10  C8x C    26.9534  -16.5718
            11  C8y C    26.6531  -15.2144
            12  C8x C    25.3181  -14.7928
            13  C8x C    20.7414  -14.7566
            14  C8x C    19.4013  -15.1617
            15  C8x C    19.0801  -16.5336
            16  C8x C    20.1010  -17.4916
            17  C1b C    27.7071  -14.2496
            18  C6a C    29.0624  -14.6773
            19  O6a O    30.0769  -13.7484
            20  O6a O    29.3694  -16.0631
BOND        22
            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     2   8 2
            9     4   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13    3  12 2
            14    1  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18    5  16 2
            19   11  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 2


entry: D04639
name: --- - Isoxicam (USAN) - Maxicam (TN)
formula: C14H13N3O5S
activity: Anti-inflammatory
kcf:
ATOM        23
            1   C8x C    10.4300  -17.7800
            2   C8x C    10.4300  -19.1800
            3   C8x C    11.6424  -19.8800
            4   C8y C    12.8549  -19.1800
            5   C8y C    12.8549  -17.7800
            6   C8x C    11.6424  -17.0800
            7   S2x S    14.0673  -19.8800
            8   N4y N    15.2797  -19.1800
            9   C8y C    15.2797  -17.7800
            10  C8y C    14.0673  -17.0800
            11  O3c O    12.8549  -20.5800
            12  O3c O    15.2797  -20.5800
            13  O1a O    14.0673  -15.6800
            14  C1a C    16.4773  -19.8715
            15  C5a C    16.4773  -17.0885
            16  N1b N    17.6656  -17.7745
            17  O5a O    16.4774  -15.6803
            18  C8y C    18.8564  -17.0869
            19  N5x N    20.1108  -17.6453
            20  O2x O    21.0295  -16.6248
            21  C8y C    20.3429  -15.4357
            22  C8x C    18.9999  -15.7213
            23  C1a C    20.9044  -14.1760
BOND        25
            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 2
            11    5  10 1
            12    7  11 2
            13    7  12 2
            14   10  13 1
            15    8  14 1
            16    9  15 1
            17   15  16 1
            18   15  17 2
            19   16  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 1
            23   21  22 2
            24   18  22 1
            25   21  23 1


entry: D04640
name: --- - Ispinesib mesylate (USAN)
formula: C30H33ClN4O2. CH4SO3
activity: Antineoplastic [kinesin inhibitor]
kcf:
ATOM        42
            1   C8y C     2.9400   -8.6100
            2   C8x C     2.9400   -7.2100
            3   C8x C     4.1300   -6.5100
            4   C8y C     5.3900   -7.2100
            5   C8y C     5.3900   -8.6100
            6   C8x C     4.1300   -9.3100
            7   C8y C     6.5800   -6.5100
            8   N4y N     7.7700   -7.2100
            9   C8y C     7.7700   -8.6100
            10  N5x N     6.5800   -9.3100
            11  X   Cl    1.7247   -9.3051
            12  O5x O     6.5800   -5.1100
            13  C1b C     8.9853   -6.5149
            14  C8y C     8.9911   -5.1103
            15  C8x C    10.2529   -4.4285
            16  C8x C    10.1885   -3.0285
            17  C8x C     8.9788   -2.3237
            18  C8x C     7.7870   -3.0056
            19  C8x C     7.7815   -4.4056
            20  C1c C     8.9853   -9.3051
            21  N1c N    10.1737   -8.6123
            22  C1c C     8.9911  -10.8497
            23  C1a C    10.1829  -11.5315
            24  C1a C     7.7584  -11.5684
            25  C5a C    11.3701   -9.2965
            26  C1b C    10.1680   -7.2101
            27  C1b C    11.3682   -6.5200
            28  O5a O    11.3062  -10.7095
            29  C8y C    12.5679   -8.6374
            30  C1b C    11.3709   -5.1103
            31  N1a N    12.5614   -4.4258
            32  C8x C    13.7764   -9.3691
            33  C8x C    15.0731   -8.6944
            34  C8y C    15.0322   -7.2947
            35  C8x C    13.8237   -6.5631
            36  C8x C    12.5970   -7.2377
            37  C1a C    16.2788   -6.6092
            38  O3c O    20.2468   -8.7885
            39  S4a S    20.2468  -10.1861
            40  C1a C    18.8494  -10.1861
            41  O1d O    21.6444  -10.1861
            42  O3c O    20.2468  -11.5835
BOND        44
            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 2
            11    5  10 1
            12    1  11 1
            13    7  12 2
            14    8  13 1
            15   13  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    9  20 1
            23   20  21 1
            24   20  22 1 #Down
            25   22  23 1
            26   22  24 1
            27   21  25 1
            28   21  26 1
            29   26  27 1
            30   25  28 2
            31   25  29 1
            32   27  30 1
            33   30  31 1
            34   29  32 2
            35   32  33 1
            36   33  34 2
            37   34  35 1
            38   35  36 2
            39   29  36 1
            40   34  37 1
            41   38  39 2
            42   39  40 1
            43   39  41 1
            44   39  42 2


entry: D04641
name: --- - Istradefylline (USAN)
formula: C20H24N4O4
activity: Treatment of the symptoms of Parkinson's disease [adenosine A2A receptor antagonist]
kcf:
ATOM        28
            1   N4y N    14.8400  -16.6600
            2   C8y C    14.8400  -18.0600
            3   N4y N    13.6500  -18.7600
            4   C8y C    12.3900  -18.0600
            5   C8y C    12.3900  -16.6600
            6   C8y C    13.6500  -15.9600
            7   O5x O    13.6500  -14.5600
            8   N4y N    11.0585  -16.2274
            9   C8y C    10.2356  -17.3600
            10  N5x N    11.0585  -18.4926
            11  C1a C    10.6297  -14.9078
            12  O5x O    16.0553  -18.7551
            13  C1b C    13.6672  -20.1599
            14  C1a C    14.8751  -20.8376
            15  C1b C    16.0553  -15.9649
            16  C1a C    17.2437  -16.6577
            17  C2b C     8.8200  -17.3600
            18  C2b C     8.1200  -16.1476
            19  C8y C     6.7202  -16.1476
            20  C8x C     6.0297  -14.9520
            21  C8x C     4.6297  -14.9522
            22  C8y C     3.9299  -16.1647
            23  C8y C     4.6203  -17.3602
            24  C8x C     6.0203  -17.3601
            25  O2a O     2.5200  -16.1648
            26  O2a O     3.9205  -18.5727
            27  C1a C     2.5202  -18.5729
            28  C1a C     1.8179  -17.3812
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     5   8 1
            9     8   9 1
            10    9  10 2
            11    4  10 1
            12    8  11 1
            13    2  12 2
            14    3  13 1
            15   13  14 1
            16    1  15 1
            17   15  16 1
            18    9  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   22  25 1
            28   23  26 1
            29   26  27 1
            30   25  28 1


entry: D04642
name: --- - Itasetron (USAN)
formula: C16H20N4O2
activity: Anti-anxiety agent; Antidepressant; Anti-emetic
kcf:
ATOM        22
            1   N1b N    17.5757   -7.1492
            2   C1y C    16.4641   -6.4822
            3   C1x C    15.4859   -5.0149
            4   C1x C    15.4859   -6.0376
            5   C1y C    14.0631   -5.0149
            6   C1y C    13.9741   -6.0376
            7   N1y N    13.2182   -4.0812
            8   C1x C    13.0404   -5.5929
            9   C1x C    12.5069   -6.6601
            10  C1a C    13.2232   -2.7593
            11  C5a C    19.0014   -7.1255
            12  N4y N    19.7227   -5.9684
            13  O5a O    19.6834   -8.3987
            14  C8y C    21.1021   -5.8457
            15  C8y C    21.4117   -4.4958
            16  N4x N    20.2236   -3.7843
            17  C8y C    19.1797   -4.6943
            18  C8x C    22.1298   -6.8013
            19  C8x C    23.4712   -6.3891
            20  C8x C    23.7808   -5.0392
            21  C8x C    22.7532   -4.0837
            22  O5x O    17.8274   -4.3320
BOND        25
            1     2   4 1
            2     3   5 1
            3     4   6 1
            4     5   7 1
            5     5   8 1
            6     6   9 1
            7     6   7 1
            8     8   9 1
            9     2   1 1
            10    2   3 1
            11    7  10 1
            12    1  11 1
            13   11  12 1
            14   11  13 2
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   14  18 2
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   15  21 2
            25   17  22 2


entry: D04643
name: --- - Itazigrel (USAN)
formula: C18H14F3NO2S
activity: Platelet aggregation inhibitor
kcf:
ATOM        25
            1   C8x C    13.7816  -14.7200
            2   C8y C    12.5000  -15.2835
            3   C8x C    12.3472  -16.6751
            4   C8x C    13.4760  -17.5033
            5   C8y C    14.7576  -16.9398
            6   C8x C    14.9104  -15.5482
            7   O2a O    11.3712  -14.4554
            8   C8y C    15.9040  -17.7806
            9   C8y C    15.8976  -19.1704
            10  N5x N    17.2174  -19.6059
            11  C8y C    18.0394  -18.4853
            12  S2x S    17.2277  -17.3573
            13  C8y C    14.7611  -19.9881
            14  C1d C    19.4452  -18.4917
            15  X   F    20.8240  -18.4981
            16  X   F    19.4512  -17.1098
            17  X   F    19.4389  -19.9094
            18  C8x C    13.5279  -19.4322
            19  C8x C    12.3914  -20.2498
            20  C8y C    12.5313  -21.6428
            21  C8x C    13.7645  -22.1988
            22  C8x C    14.9010  -21.3811
            23  O2a O    11.4075  -22.4509
            24  C1a C    10.1404  -21.8799
            25  C1a C    10.0506  -15.0353
BOND        27
            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     2   7 1
            8     5   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13    8  12 1
            14    9  13 1
            15   11  14 1
            16   14  15 1
            17   14  16 1
            18   14  17 1
            19   13  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   13  22 1
            25   20  23 1
            26   23  24 1
            27    7  25 1


entry: D04644
name: --- - Iturelix (USAN)
activity:
Reversible inhibition of gonadotropin secretion and subsequent suppression of ovarian and testicular steroid secretion [gonadotropin releasing hormone antagonist]


entry: D04645
name: --- - Ixabepilone (USAN)
formula: C27H42N2O5S
activity: Antineoplastic; Antimitotic
kcf:
ATOM        35
            1   C1y C     9.8700  -15.2600
            2   C1y C     9.8700  -16.6600
            3   C5x C    11.0824  -17.3600
            4   C1z C    12.2949  -16.6600
            5   C1y C    11.0824  -14.5600
            6   C1y C    13.5073  -17.3600
            7   C1x C    14.7197  -16.6600
            8   C5x C    15.9322  -17.3600
            9   N1x N    17.1446  -16.6600
            10  C1y C    17.1446  -15.2600
            11  C1x C    15.9322  -14.5600
            12  C1x C    13.5073  -13.1600
            13  C1x C    12.2949  -12.4600
            14  C1x C    11.0824  -13.1600
            15  C1y C    15.9322  -13.1600
            16  C1z C    14.7197  -12.4600
            17  C1a C     8.6576  -17.3600
            18  O1a O    13.5073  -18.7600
            19  O5x O    11.0824  -18.7598
            20  O5x O    15.9322  -18.7597
            21  O1a O     8.6576  -14.5600
            22  O2x O    15.9322  -11.7600
            23  C1a C    13.9807  -11.2589
            24  C2c C    18.3611  -14.5577
            25  C1a C    13.5073  -15.9600
            26  C1a C    11.0824  -16.2400
            27  C2b C    19.5586  -15.2492
            28  C1a C    18.3611  -13.1602
            29  C8y C    20.7449  -14.5643
            30  N5x N    22.0014  -15.1239
            31  C8y C    22.9219  -14.1018
            32  S2x S    22.2343  -12.9106
            33  C8x C    20.8888  -13.1964
            34  C1a C    24.2792  -14.2439
            35  C1a C    10.0925  -13.5701
BOND        37
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   5 1
            5     4   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   12  13 1
            12   13  14 1
            13    5  14 1
            14   11  15 1
            15   15  16 1
            16   16  12 1
            17    2  17 1 #Down
            18    6  18 1 #Down
            19    3  19 2
            20    8  20 2
            21    1  21 1 #Up
            22   16  22 1
            23   15  22 1
            24   16  23 1 #Down
            25   10  24 1 #Up
            26    4  25 1
            27    4  26 1
            28   24  27 2
            29   24  28 1
            30   27  29 1
            31   29  30 1
            32   30  31 2
            33   31  32 1
            34   32  33 1
            35   29  33 2
            36   31  34 1
            37    5  35 1 #Down


entry: D04646
name: --- - Izonsteride (USAN)
formula: C24H26N2OS2
activity: Treatment of prostate cancer [inhibits human type I and II isoforms of 5alpha-reductase]
kcf:
ATOM        29
            1   C1x C    24.2900  -34.4400
            2   C5x C    24.2900  -35.8400
            3   N1y N    25.5024  -36.5400
            4   C1y C    26.7149  -35.8400
            5   C1z C    26.7149  -34.4400
            6   C1x C    25.5024  -33.7400
            7   C1x C    27.9273  -36.5400
            8   C1x C    29.1397  -35.8400
            9   C8y C    29.1397  -34.4400
            10  C8y C    27.9273  -33.7400
            11  C8x C    30.3522  -33.7400
            12  C8y C    30.3522  -32.3400
            13  C8x C    29.1397  -31.6400
            14  C8x C    27.9273  -32.3400
            15  S2a S    31.5853  -31.6278
            16  C8y C    32.7915  -32.3240
            17  N5x N    32.9396  -33.7284
            18  C8y C    34.3210  -34.0216
            19  C8y C    35.0267  -32.7984
            20  S2x S    34.0815  -31.7492
            21  C8y C    35.0214  -35.2338
            22  C8x C    36.4214  -35.2334
            23  C8x C    37.1271  -34.0102
            24  C8x C    36.4267  -32.7980
            25  C1a C    26.7149  -33.0400
            26  O5x O    23.0776  -36.5400
            27  C1b C    34.3267  -36.4375
            28  C1a C    35.0341  -37.6621
            29  C1a C    25.5024  -37.9400
BOND        33
            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 2
            11    5  10 1
            12    9  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   10  14 1
            17   12  15 1
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   16  20 1
            24   18  21 2
            25   21  22 1
            26   22  23 2
            27   23  24 1
            28   19  24 2
            29    5  25 1 #Up
            30    2  26 2
            31   21  27 1
            32   27  28 1
            33    3  29 1


entry: D04648
name: --- - Kalafungin (USAN)
formula: C16H12O6
activity: Antifungal
kcf:
ATOM        22
            1   C8y C    23.0875  -16.4809
            2   C8y C    23.0800  -17.8847
            3   C5x C    24.3000  -15.7969
            4   C8y C    21.8786  -15.7776
            5   C5x C    24.2891  -18.5980
            6   C8x C    21.8622  -18.5844
            7   C2y C    25.5021  -16.4963
            8   O5x O    24.2993  -14.3792
            9   C8x C    20.6608  -16.4674
            10  O1a O    21.8763  -14.3590
            11  C2y C    25.4933  -17.8904
            12  C8x C    20.6533  -17.8715
            13  C1y C    26.7142  -15.8158
            14  C1y C    26.6908  -18.5914
            15  O2x O    27.9056  -16.5182
            16  C1a C    26.7135  -14.3981
            17  C1y C    27.8993  -17.9045
            18  O5x O    24.2877  -20.0005
            19  O7x O    26.9707  -19.9530
            20  C7x C    28.3521  -20.1076
            21  C1x C    28.9260  -18.8416
            22  O7x O    29.0359  -21.3105
BOND        25
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   13  15 1
            15   13  16 1 #Up
            16   14  17 1
            17    7  11 2
            18    9  12 1
            19   15  17 1
            20    5  18 2
            21   14  19 1
            22   19  20 1
            23   20  21 1
            24   17  21 1
            25   20  22 2


entry: D04649
name: --- - Ketazocine (USAN)
formula: C18H23NO2
activity: Analgesic
kcf:
ATOM        21
            1   C5x C    33.4600  -14.9100
            2   C1z C    35.7700  -15.6100
            3   C1y C    36.1200  -14.4900
            4   C1y C    34.9300  -13.2300
            5   C1x C    37.5900  -15.6100
            6   N1y N    37.3100  -14.4900
            7   C1x C    38.5700  -16.1700
            8   C1a C    35.9800  -16.8700
            9   C1b C    37.9361  -13.2378
            10  C1y C    39.3379  -13.1537
            11  C1x C    40.3279  -12.1637
            12  C1x C    40.6902  -13.5160
            13  C8x C    31.9200  -18.2700
            14  C8y C    33.2723  -18.6323
            15  C8x C    34.2622  -17.6424
            16  C8y C    33.8999  -16.2901
            17  C8y C    32.5476  -15.9278
            18  C8x C    31.5577  -16.9177
            19  O1a O    33.6298  -19.9675
            20  O5x O    32.7909  -13.6802
            21  C1a C    34.9300  -11.8300
BOND        24
            1     1   3 1
            2     2   4 1
            3     2   5 1
            4     3   6 1
            5     5   7 1
            6     3   4 1
            7     6   7 1
            8     2   8 1 #Down
            9     6   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   10  12 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20    2  16 1
            21   17   1 1
            22   14  19 1
            23    1  20 2
            24    4  21 1


entry: D04651
name: --- - Kethoxal (USAN)
formula: C6H12O4
activity: Antiviral
kcf:
ATOM        10
            1   O1a O    13.1600  -13.7900
            2   C1c C    14.3724  -14.4900
            3   C5a C    15.5849  -13.7900
            4   C1c C    16.7973  -14.4900
            5   O2a O    18.0097  -13.7900
            6   C1b C    19.2222  -14.4900
            7   C1a C    20.4346  -13.7900
            8   O1a O    14.3724  -15.8898
            9   O5a O    15.5849  -12.3902
            10  C1a C    16.7973  -15.8900
BOND        9
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   8 1
            8     3   9 2
            9     4  10 1


entry: D04652
name: --- - Ketipramine fumarate (USAN)
formula: C19H22N2O. C4H4O4
activity: Antidepressant
kcf:
ATOM        30
            1   N1y N     6.9398   -5.4031
            2   C8y C     8.3082   -5.4224
            3   C8y C     6.1799   -4.6257
            4   C1b C     6.9562   -6.8349
            5   C8y C     9.2571   -4.4100
            6   C8x C     8.6720   -6.6814
            7   C8y C     6.1762   -3.2810
            8   C8x C     5.0118   -5.3144
            9   C5x C     9.2612   -3.2398
            10  C8x C    10.5593   -4.7502
            11  C8x C     9.9915   -7.0155
            12  C1x C     7.7253   -2.3143
            13  C8x C     4.9983   -2.6076
            14  C8x C     3.8400   -4.6525
            15  C8x C    10.9758   -6.0436
            16  C8x C     3.7834   -3.2909
            17  C1b C     5.7213   -7.5665
            18  C1b C     4.5127   -6.8865
            19  N1c N     3.2962   -7.6074
            20  C1a C     2.0809   -6.9242
            21  C1a C     3.3126   -9.0298
            22  O5x O    10.4734   -2.5576
            23  C2b C    16.1717   -7.3818
            24  C2b C    17.3805   -6.6850
            25  C6a C    14.9544   -6.6933
            26  C6a C    18.5896   -7.3818
            27  O6a O    13.7458   -7.3901
            28  O6a O    14.9544   -5.2915
            29  O6a O    19.8065   -6.6765
            30  O6a O    18.5978   -8.7836
BOND        31
            1     3   8 1
            2     5   9 1
            3     5  10 1
            4     6  11 2
            5     7  12 1
            6     7  13 1
            7     8  14 2
            8    10  15 2
            9    13  16 2
            10    9  12 1
            11   11  15 1
            12   14  16 1
            13    1   2 1
            14    1   3 1
            15    1   4 1
            16    2   5 2
            17    2   6 1
            18    3   7 2
            19    4  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 1
            24    9  22 2
            25   23  24 2
            26   23  25 1
            27   24  26 1
            28   25  27 1
            29   25  28 2
            30   26  29 1
            31   26  30 2


entry: D04653
name: --- - Ketorfanol (USAN)
formula: C20H25NO2
activity: Analgesic
kcf:
ATOM        23
            1   C1z C    39.5176  -26.2930
            2   C8y C    39.5176  -24.9650
            3   C1y C    40.6359  -26.9919
            4   C1x C    40.4262  -25.3844
            5   C1x C    38.3294  -26.9919
            6   C8y C    40.6359  -24.3360
            7   C8y C    38.3294  -24.3360
            8   C1y C    41.8240  -26.2930
            9   C1x C    40.6359  -28.3199
            10  C1x C    42.9423  -25.3844
            11  C5x C    38.3294  -28.3199
            12  C1x C    41.8240  -24.9650
            13  C8x C    40.6359  -23.0081
            14  C8x C    38.3294  -23.0081
            15  N1y N    42.9423  -26.9919
            16  C1x C    39.5176  -29.0188
            17  C8x C    39.5176  -22.3092
            18  C1b C    44.4100  -26.9919
            19  O1a O    37.0714  -25.0349
            20  O5x O    37.1413  -29.0188
            21  C1y C    45.1090  -25.8038
            22  C1x C    46.1941  -24.9225
            23  C1x C    44.9025  -24.4409
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 2
            14    8  15 1 #Up
            15    9  16 1
            16   13  17 2
            17   15  18 1
            18    8  12 1
            19   10  15 1
            20   11  16 1
            21   14  17 1
            22    7  19 1
            23   11  20 2
            24   18  21 1
            25   21  22 1
            26   22  23 1
            27   23  21 1


entry: D04657
name: --- - Lacidipine (USAN) - Motens (TN)
formula: C26H33NO6
activity: Antihypertensive
kcf:
ATOM        33
            1   C1y C    16.7658  -13.6180
            2   C8y C    16.7482  -15.8812
            3   C2y C    15.5904  -12.9431
            4   C2y C    17.9409  -12.9490
            5   C8x C    15.5671  -16.5561
            6   C8y C    17.9235  -16.5678
            7   C2y C    15.5963  -11.5817
            8   C7a C    14.4093  -13.6123
            9   C2y C    17.9468  -11.5934
            10  C7a C    19.1104  -13.6296
            11  C8x C    15.5671  -17.9175
            12  C8x C    17.9177  -17.9175
            13  N1x N    16.7715  -10.9068
            14  C1a C    14.4209  -10.9011
            15  O7a O    13.2400  -12.9374
            16  O7a O    14.4093  -14.9794
            17  C1a C    19.1220  -10.9128
            18  O7a O    20.2914  -12.9606
            19  O7a O    19.1046  -14.9910
            20  C8x C    16.7366  -18.5982
            21  C1b C    12.0648  -13.6123
            22  C1b C    21.4667  -13.6412
            23  C1a C    10.8895  -12.9315
            24  C1a C    22.6913  -12.9363
            25  C2b C    19.1454  -15.8701
            26  C2b C    20.3274  -16.5601
            27  C7a C    21.5184  -15.8799
            28  O7a O    22.6921  -16.5650
            29  O7a O    21.4558  -14.4732
            30  C1d C    23.8873  -15.8823
            31  C1a C    25.2883  -15.0619
            32  C1a C    24.5625  -17.0651
            33  C1a C    23.1818  -14.6464
BOND        34
            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 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 1
            18   10  19 2
            19   11  20 2
            20   15  21 1
            21   18  22 1
            22   21  23 1
            23    9  13 1
            24   12  20 1
            25   22  24 1
            26    6  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 1
            30   27  29 2
            31   28  30 1
            32   30  31 1
            33   30  32 1
            34   30  33 1


entry: D04659
name: --- - Lamifiban (USAN)
formula: C24H28N4O6
activity: Antithrombotic
kcf:
ATOM        34
            1   C8y C    10.7100  -10.9900
            2   C8x C    10.7100  -12.3900
            3   C8x C    11.9224  -13.0900
            4   C8y C    13.1349  -12.3900
            5   C8x C    13.1349  -10.9900
            6   C8x C    11.9224  -10.2900
            7   C2c C     9.4976  -10.2900
            8   N1a N     8.3021  -10.9804
            9   C5a C    14.3660  -13.1010
            10  N2a N     9.4975   -8.8902
            11  N1b N    15.5712  -12.4053
            12  C1c C    16.7535  -13.0881
            13  O5a O    14.3657  -14.4899
            14  C5a C    17.9475  -12.3988
            15  C1b C    16.7535  -15.1198
            16  N1y N    19.1354  -13.0848
            17  O5a O    17.9477  -10.9903
            18  C1x C    19.1354  -14.4898
            19  C1x C    20.3478  -15.1898
            20  C1y C    21.5603  -14.4898
            21  C1x C    21.5603  -13.0848
            22  C1x C    20.3479  -12.3848
            23  O2a O    22.7726  -15.1898
            24  C1b C    23.9679  -14.4995
            25  C6a C    25.1553  -15.1850
            26  O6a O    26.3465  -14.4971
            27  O6a O    25.1555  -16.5898
            28  C8y C    15.5234  -15.8301
            29  C8x C    14.3191  -15.1348
            30  C8x C    13.1067  -15.8348
            31  C8y C    13.1067  -17.2348
            32  C8x C    14.3109  -17.9301
            33  C8x C    15.5234  -17.2301
            34  O1a O    11.8883  -17.9383
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     1   7 1
            8     7   8 1
            9     4   9 1
            10    7  10 2
            11    9  11 1
            12   11  12 1
            13    9  13 2
            14   12  14 1
            15   12  15 1
            16   14  16 1
            17   14  17 2
            18   16  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   16  22 1
            24   20  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   25  27 2
            29   15  28 1
            30   28  29 2
            31   29  30 1
            32   30  31 2
            33   31  32 1
            34   32  33 2
            35   28  33 1
            36   31  34 1


entry: D04660
name: --- - Lamifiban hydrochloride (USAN)
formula: C24H28N4O6. HCl
activity: Fibrinogen receptor antagonist
kcf:
ATOM        35
            1   C8y C    15.1572  -14.4545
            2   C8x C    15.1572  -15.8410
            3   C8x C    16.3579  -16.5343
            4   C8y C    17.5588  -15.8410
            5   C8x C    17.5588  -14.4545
            6   C8x C    16.3579  -13.7612
            7   C2c C    13.9564  -13.7612
            8   N1a N    12.7724  -14.4450
            9   C5a C    18.7781  -16.5452
            10  N2a N    13.9563  -12.3748
            11  N1b N    19.9717  -15.8562
            12  C1c C    21.1426  -16.5324
            13  O5a O    18.7778  -17.9208
            14  C5a C    22.3252  -15.8497
            15  C1b C    21.1426  -18.5446
            16  N1y N    23.5017  -16.5292
            17  O5a O    22.3254  -14.4548
            18  C1x C    23.5017  -17.9207
            19  C1x C    24.7024  -18.6140
            20  C1y C    25.9033  -17.9207
            21  C1x C    25.9033  -16.5292
            22  C1x C    24.7025  -15.8359
            23  O2a O    27.1039  -18.6140
            24  C1b C    28.2878  -17.9303
            25  C6a C    29.4638  -18.6092
            26  O6a O    30.6435  -17.9279
            27  O6a O    29.4640  -20.0005
            28  C8y C    19.9243  -19.2481
            29  C8x C    18.7316  -18.5595
            30  C8x C    17.5309  -19.2528
            31  C8y C    17.5309  -20.6393
            32  C8x C    18.7235  -21.3279
            33  C8x C    19.9243  -20.6347
            34  O1a O    16.3242  -21.3361
            35  X   Cl   25.8300  -22.1900
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     1   7 1
            8     7   8 1
            9     4   9 1
            10    7  10 2
            11    9  11 1
            12   11  12 1
            13    9  13 2
            14   12  14 1
            15   12  15 1
            16   14  16 1
            17   14  17 2
            18   16  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   16  22 1
            24   20  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   25  27 2
            29   15  28 1
            30   28  29 2
            31   29  30 1
            32   30  31 2
            33   31  32 1
            34   32  33 2
            35   28  33 1
            36   31  34 1


entry: D04661
name: --- - Lanimostim (USAN)
activity:
Antineoplastic; Anti-infective growth factor that acts on both progenitor and mature cells of the macrophage line


entry: D04677
name: --- - Paraphlebon - senna powder - sulfur - potassium hydrogen tartrate mixt - Circanetten (TN)
remark: Therapeutic category: 2559
comment:
Mixture of Paraphlebon [DR:D04676], Senna powder [DR:D04395], Sulfur [DR:D00024] and Potassium hydrogen tartrate [DR:D01561]


entry: D04697
name: --- - Esculoside (JAN) - Esculin
formula: (C15H16O9)2. H2O
comment: Component of Proctosedyl (TN)
kcf:
ATOM        49
            1   C8y C     9.5200  -15.3300
            2   C8y C     9.5200  -13.9300
            3   C8x C    10.7100  -13.2300
            4   C8y C    11.9700  -13.9300
            5   C8y C    11.9700  -15.3300
            6   C8x C    10.7100  -16.0300
            7   O7x O    13.1600  -13.2300
            8   C8y C    14.3500  -13.9300
            9   C8x C    14.3500  -15.3300
            10  C8x C    13.1600  -16.0300
            11  O2a O     8.3300  -16.0300
            12  O7x O    15.5400  -13.2300
            13  O1a O     8.3300  -13.2300
            14  C1y C     7.1400  -15.3300
            15  C1y C     5.9500  -16.0300
            16  C1y C     4.6900  -15.3300
            17  C1y C     4.6900  -13.9300
            18  C1y C     5.8800  -13.2300
            19  O2x O     7.1400  -13.9300
            20  C1b C     5.8628  -11.8301
            21  O1a O     3.4834  -16.0400
            22  O1a O     3.4747  -13.2349
            23  O1a O     5.9672  -17.4299
            24  O1a O     4.6549  -11.1524
            25  O0  O    18.9000  -14.1400
            26  C8y C     9.5200  -15.3300
            27  C8y C     9.5200  -13.9300
            28  C8x C    10.7100  -13.2300
            29  C8y C    11.9700  -13.9300
            30  C8y C    11.9700  -15.3300
            31  C8x C    10.7100  -16.0300
            32  C8x C    13.1600  -16.0300
            33  C8x C    14.3500  -15.3300
            34  C8y C    14.3500  -13.9300
            35  O7x O    13.1600  -13.2300
            36  O7x O    15.5400  -13.2300
            37  O1a O     8.3300  -13.2300
            38  O2a O     8.3300  -16.0300
            39  C1y C     7.1400  -15.3300
            40  C1y C     5.9500  -16.0300
            41  C1y C     4.6900  -15.3300
            42  C1y C     4.6900  -13.9300
            43  C1y C     5.8800  -13.2300
            44  O2x O     7.1400  -13.9300
            45  C1b C     5.8628  -11.8301
            46  O1a O     4.6549  -11.1524
            47  O1a O     3.4747  -13.2349
            48  O1a O     3.4834  -16.0400
            49  O1a O     5.9672  -17.4299
BOND        52
            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 2
            11    5  10 1
            12    1  11 1
            13    8  12 2
            14    2  13 1
            15   14  11 1 #Up
            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   18  20 1 #Up
            23   16  21 1 #Up
            24   17  22 1 #Down
            25   15  23 1 #Down
            26   20  24 1
            27   26  27 2
            28   27  28 1
            29   28  29 2
            30   29  30 1
            31   30  31 2
            32   26  31 1
            33   29  35 1
            34   35  34 1
            35   34  33 1
            36   33  32 2
            37   30  32 1
            38   26  38 1
            39   34  36 2
            40   27  37 1
            41   39  38 1 #Up
            42   39  40 1
            43   40  41 1
            44   41  42 1
            45   42  43 1
            46   43  44 1
            47   39  44 1
            48   43  45 1 #Up
            49   41  48 1 #Up
            50   42  47 1 #Down
            51   40  49 1 #Down
            52   45  46 1


entry: D04699
remark: Therapeutic category: 2559
name:
--- 
- Hydrocortisone - fradiomycin sulfate - dibucaine hydrochloride - esculoside mixt
- Proctosedyl (TN)

comment:
Mixture of Hydrocortisone [DR:D00088], Fradiomycin sulfate [DR:D01618], Dibucaine hydrochloride [DR:D02220] and Esculoside [DR:D04697]


entry: D04707
remark: Therapeutic category: 2559
name:
--- 
- Lithospermum root extract - ethyl aminobenzoate - dibucaine hydrochloride - diphenhydramine hydrochloride - cetrimide mixt
- Borraginol N (TN)

comment:
Mixture of Lithospermum root extract [DR:D04705], Ethyl aminobenzoate [DR:D00552], Dibucaine hydrochloride [DR:D02220], Diphenhydramine hydrochloride [DR:D00669] and Cetrimide [DR:D02164]


entry: D04718
name: --- - Levopropoxyphene napsylate (USAN)
formula: C22H29NO2. C10H8O3S. H2O
activity: Antitussive
kcf:
ATOM        40
            1   C1d C     7.3850   -9.3741
            2   C8y C     7.3792   -7.9683
            3   C1b C     6.1658  -10.0801
            4   C1c C     7.3850  -10.7625
            5   O7a O     8.5926  -10.0567
            6   C8x C     6.1658   -7.2682
            7   C8x C     8.5926   -7.2682
            8   C8y C     4.9524   -9.3741
            9   C1b C     8.5926  -11.4685
            10  C1a C     6.1658  -11.4568
            11  C7a C     9.8059   -9.3624
            12  C8x C     6.1658   -5.8624
            13  C8x C     8.5926   -5.8624
            14  C8x C     4.9524   -7.9799
            15  C8x C     3.7389  -10.0858
            16  N1c N     8.5926  -12.8626
            17  C1b C    11.0194  -10.0508
            18  O7a O     9.8059   -7.9566
            19  C8x C     7.3792   -5.1681
            20  C8x C     3.7332   -7.2799
            21  C8x C     2.5314   -9.3858
            22  C1a C     9.8059  -13.5627
            23  C1a C     7.3792  -13.5627
            24  C1a C    12.2269   -9.3509
            25  C8x C     2.5256   -7.9799
            26  C8x C    15.2600   -8.6100
            27  C8x C    15.2600  -10.0100
            28  C8x C    16.4724  -10.7100
            29  C8y C    17.6849  -10.0100
            30  C8y C    17.6849   -8.6100
            31  C8x C    16.4724   -7.9100
            32  C8x C    18.8973  -10.7100
            33  C8x C    20.1097  -10.0100
            34  C8y C    20.1097   -8.6100
            35  C8x C    18.8973   -7.9100
            36  S4a S    21.3073   -7.9185
            37  O1d O    22.5197   -7.2185
            38  O3c O    20.5971   -6.6879
            39  O3c O    21.9965   -9.1127
            40  O0  O    18.3400  -12.6000
BOND        41
            1     1   2 1 #Up
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1 #Up
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 2
            14    8  15 1
            15    9  16 1
            16   11  17 1
            17   11  18 2
            18   12  19 1
            19   14  20 1
            20   15  21 2
            21   16  22 1
            22   16  23 1
            23   17  24 1
            24   20  25 2
            25   13  19 2
            26   21  25 1
            27   26  27 2
            28   27  28 1
            29   28  29 2
            30   29  30 1
            31   30  31 2
            32   26  31 1
            33   29  32 1
            34   32  33 2
            35   33  34 1
            36   34  35 2
            37   30  35 1
            38   34  36 1
            39   36  37 1
            40   36  38 2
            41   36  39 2


entry: D04723
name: --- - Iodine tincture (JP15) - Dilute iodine tincture (JP15) - Iodine tincture (TN)
remark: Therapeutic category: 2612
comment:
Mixture of Iodine [DR:D00108], Potassium iodine [DR:D01016] and Ethanol [DR:D00068] or Isopropanol [DR:D00137]


entry: D04753
name: --- - Chloramphenicol - fradiomycin sulfate - prednisolone mixt - Chlomy-P (TN)
remark: Therapeutic category: 2639
comment:
Mixture of Chloramphenicol [DR:D00104], Fradiomycin sulfate [DR:D01618] and Prednisolone [DR:D00472]


entry: D04761
name: --- - Camphor - ethanol mixt - Camphor (TN)
remark: Therapeutic category: 2645
comment:
Mixture of d-Camphor [DR:D06392] or dl-Camphor [DR:D00098] and Ethanol [DR:D00068] or Methylated alcohol


entry: D04771
name: --- - Triamcinolone acetonide - fradiomycin sulfate - gramicidin mixt - Kenacort-AG (TN)
remark: Therapeutic category: 2647
comment:
Mixture of Triamcinolone acetonide [DR:D00983], Fradiomycin sulfate [DR:D01618] and Gramicidin [DR:D04369]


entry: D04790
name: --- - Lubiprostone (USAN) - Amitiza (TN)
formula: C20H32F2O5
activity: Treatment of constipation and bowel preparation
remark: Same as: C13707
kcf:
ATOM        27
            1   C1y C    25.6601  -19.3861
            2   C5x C    25.6540  -20.7833
            3   C1x C    26.9811  -21.2211
            4   O6a O    15.9593  -19.4123
            5   C6a C    17.1719  -18.7103
            6   C1b C    18.3846  -19.4052
            7   C1b C    19.5973  -18.7031
            8   C1b C    20.8099  -19.3980
            9   C1b C    22.0226  -18.6960
            10  C1b C    23.2351  -19.3910
            11  C1b C    24.4478  -18.6890
            12  O6a O    17.1689  -17.3061
            13  C1y C    26.9912  -18.9603
            14  C1y C    27.8018  -20.0962
            15  O2x O    29.1911  -19.9621
            16  C1z C    29.7696  -18.6920
            17  C1x C    28.9588  -17.5560
            18  C1x C    27.5695  -17.6901
            19  O5x O    24.5142  -21.6035
            20  O1a O    30.9792  -19.3910
            21  C1d C    30.7593  -17.6891
            22  C1b C    32.1140  -18.0507
            23  C1b C    33.0996  -17.0578
            24  C1b C    34.4542  -17.4195
            25  C1a C    35.4398  -16.4267
            26  X   F    29.7594  -16.6892
            27  X   F    31.4544  -16.4693
BOND        28
            1    13   1 1
            2     7   8 1
            3    13  14 1
            4    14  15 1
            5    15  16 1
            6    16  17 1
            7    17  18 1
            8    18  13 1
            9     8   9 1
            10    2  19 2
            11    1   2 1
            12   16  20 1 #Up
            13    9  10 1
            14   16  21 1 #Down
            15    4   5 2
            16   21  22 1
            17   10  11 1
            18   22  23 1
            19    1  11 1 #Up
            20   23  24 1
            21    2   3 1
            22   24  25 1
            23    5  12 1
            24    5   6 1
            25    3  14 1
            26   21  26 1
            27    6   7 1
            28   21  27 1


entry: D04806
remark: Therapeutic category: 2649
name:
--- 
- Hydrocortisone acetate - diphenhydramine hydrochloride - fradiomycin sulfate mixt
- Strong restamin cortisone (TN)

comment:
Mixture of Hydrocortisone acetate [DR:D00165], Diphenhydramine hydrochloride [DR:D00669] and Fradiomycin sulfate [DR:D01618]


entry: D04814
remark: Therapeutic category: 2710
name:
--- 
- Ethyl aminobenzoate - p-butylaminobenzoyldiethylaminoethyl hydrochloride mixt
- Neozalocaine (TN)

comment:
Mixture of Ethyl aminobenzoate [DR:D00552] and p-Butylaminobenzoyldiethylaminoethyl hydrochloride [DR:D01967]


entry: D04816
remark: Therapeutic category: 2710
name:
--- 
- Ethyl aminobenzoate - tetracaine hydrochloride - dibucaine hydrochloride - homosulfamine mixt
- Prones-pasta aroma (TN)

comment:
Mixture of Etyl aminobenzoate [DR:D00552], Tetracaine hydrochloride [DR:D00741], Dibucaine hydrochloride [DR:D02220] and homosulfamine [DR:D04815]


entry: D04819
remark: Therapeutic category: 2720
name:
--- 
- Arsenic trioxide - dibucaine hydrochloride - dl-methylephedrine hydrochloride - p-butylaminobenzoyldiethylaminoethyl hydrochloride - benzyl alcohol mixt
- Neoarsen black (TN)

comment:
Mixture of Arsenic trioxide [DR:D02106], Dibucaine hydrochloridide [DR:D02220], dl-Methylephedrine hydrochloride [DR:D02109], p-Butylaminobenzoyldiethylaminoethyl hydrochloride [DR:D01967] and Benzyl alcohol [DR:D00077]


entry: D04837
name: --- - Zinc iodide
formula: ZnI2
comment: Component of Iodine zinc iodide for Kantop (TN)
kcf:
ATOM        3
            1   Z   Zn   20.5800  -15.1900
            2   X   I    21.9800  -15.1900
            3   X   I    19.1800  -15.1900
BOND        2
            1     1   2 1
            2     1   3 1


entry: D04856
name: --- - Calcium hydroxide - iodoform - sulfathiazole mixt - Calvital powder (TN)
remark: Therapeutic category: 2750
comment:
Mixture of Calcium hydroxide [DR:D01083], Iodoform [DR:D01910] and Sulfathiazole [DR:D01047] See [DR:D01967] Calvital liquid (TN)


entry: D04861
name: --- - Cresol - formalin - clove oil - zinc oxide mixt - Palpack V (TN)
remark: Therapeutic category: 2750
comment:
Mixture of Cresol [DR:D01960], Formalin [DR:D00017], Clove oil [DR:D03570] and Zinc oxide [DR:D01170]


entry: D04874
name: --- - Sodium iodide (JP15/USP)
formula: NaI
activity: Supplement [iodine]
comment: Component of Neoglycerol (TN)
kcf:
ATOM        2
            1   X   I    12.6700  -11.4100
            2   Z   Na   14.0700  -11.3986
BOND        1
            1     1   2 1


entry: D04875
name: --- - Zinc sulfate - iodine - sodium iodine - glycerin mixt - Neoglycerol (TN)
remark: Therapeutic category: 2790
comment:
Mixture of Zinc sulfate [DR:D01081], Iodine [DR:D00108], Sodium iodine [DR:D04874] and Glycerin [DR:D00028]


entry: D04876
name: --- - Hinokitiol
formula: C10H12O2
remark: Same as: C09904
comment: Component of Hinoporon (TN)
kcf:
ATOM        12
            1   C2y C    14.8908  -16.1531
            2   C2x C    14.0461  -15.0401
            3   C2y C    14.3823  -13.6792
            4   C5x C    15.6472  -13.0993
            5   C2x C    16.3009  -16.1784
            6   C2x C    16.9046  -13.7235
            7   C2x C    17.1920  -15.0964
            8   O5x O    15.6689  -11.7202
            9   C1c C    14.1691  -17.3528
            10  C1a C    14.8473  -18.5776
            11  C1a C    12.7404  -17.3270
            12  O1a O    13.2704  -12.7586
BOND        12
            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 2
            8     4   8 2
            9     1   9 1
            10    9  10 1
            11    9  11 1
            12    3  12 1


entry: D04879
name: --- - Hydrocortisone acetate - hinokitiol - ethyl aminobenzoate mixt - Hinoporon (TN)
remark: Therapeutic category: 2790
comment:
Mixture of Hydrocortisone acetate [DR:D00165], Hinokitiol [DR:D04876] and Ethyl aminobenzoate [DR:D00552]


entry: D04880
name: --- - Dental iodine glycerin (JP15) - Iodine glycerin (TN)
remark: Therapeutic category: 2730 2790
comment:
Mixture of Iodine [DR:D00108], Potassium iodide [DR:D01016], Zinc sulfate [DR:D01081] and Glycerin [DR:D00028]


entry: D04881
name: --- - Aluminum chloride - cetylpyridinium chloride - Lidocaine mixt - Dental TDZ (TN)
remark: Therapeutic category: 2790
comment:
Mixture of Aluminum chloride [DR:D02845], Cetylpyridinium chloride [DR:D01062] and Lidocaine [DR:D00358]


entry: D04899
name: --- - Thiamine hydrochloride - Riboflavin sodium phosphate - ascorbic acid mixt
remark: Therapeutic category: 3172
comment:
Mixture of Thiamine hydrochloride [DR:D02094] and Riboflavin sodium phosphate [DR:D01622] and Ascorbic acid [DR:D00018]


entry: D04901
name: --- - Thiamine disulfide - pyridoxine hydrochloride - cyanocobalamin mixt - Alithia N (TN)
remark: Therapeutic category: 3179
comment:
Mixture of Thiamine disulfide [DR:D03299], Pyridoxine hydrochloride [DR:D02179] and Cyanocobalamin [DR:D00166]


entry: D04904
remark: Therapeutic category: 3179
name:
--- 
- Thiamine disulfide - pyridoxine hydrochloride - hydroxocobalamin acetate mixt
- Dai medine (TN)

comment:
Mixture of Thiamine disulfide [DR:D03299], Pyridoxine hydrochloride [DR:D02179] and Hydroxocobalamin acetate [DR:D02707]


entry: D04911
name: --- - Benfotiamine - pyridoxine hydrochloride - cyanocobalamin mixt - Vitamedin (TN)
remark: Therapeutic category: 3179
comment:
Mixture of Benfotiamine [DR:D01255], Pyridoxine hydrochloride [DR:D02179] and Cyanocobalamin [DR:D00166] See [DR:D04930 D04935]


entry: D04913
name: --- - Thiamine hydrochloride - pyridoxine hydrochloride - Cyanocobalamin mixt - Daivitamix (TN)
remark: Therapeutic category: 3179
comment:
Mixture of Thiamine hydrochloride [DR:D02094], Pyridoxine hydrochloride [DR:D02179] and Cyanocobalamin [DR:D00166]


entry: D04915
remark: Therapeutic category: 3179
name:
--- 
- Calcium pantothenate - riboflavin - pyridoxine hydrochloride - nicotinamide mixt
- Pancal (TN)

comment:
Mixture of Calcium pantothenate [DR:D01082], Riboflavin [DR:D00050], Pyridoxine hydrochloride [DR:D02179] and Nicotinamide [DR:D00036]


entry: D04916
remark: Therapeutic category: 3179
name:
--- 
- Thiamine nitrate - pyridoxine hydrochloride - hydroxocobalamin acetate mixt
- Tridocelan (TN)

comment:
Mixture of Thiamine nitrate [DR:D03277], Pyridoxine hydrochloride [DR:D02179] and Hydroxocobalamin acetate [DR:D02707]


entry: D04917
name: --- - Octotiamine - riboflavin - pyridoxine hydrochloride - cyanocobalamin mixt - Neurovitan (TN)
remark: Therapeutic category: 3179
comment:
Mixture of Octotiamine [DR:D01184], Riboflavin [DR:D00050], Pyridoxine hydrochloride [DR:D02179] and Cyanocobalamin [DR:D00166]


entry: D04919
remark: Therapeutic category: 3179
name:
--- 
- Pyridoxal phosphate - fursultiamine hydrochloride - riboflavin - hydroxocobalamin acetate mixt
- Vitadan (TN)

comment:
Mixture of Pyridoxal phosphate [DR:D00006], Fursultiamine hydrochloride [DR:D03321], Riboflavin [DR:D00050] and Hydroxocobalami acetate [DR:D02707]


entry: D04922
name: --- - Fursultiamine - pyridoxal phosphate - hydroxocobalamin acetate mixt - Vitaneurin (TN)
remark: Therapeutic category: 3179
comment:
Mixture of Fursultiamine [DR:D03319], Pyridoxal phosphate [DR:D00006] and Hydroxocobalamin acetate [DR:D02707] Riboflavin [DR:D00050] is mixed for Vitaneurin-capsule (TN)


entry: D04930
remark: Therapeutic category: 3179
name:
--- 
- Benfotiamine - pyridoxine hydrochloride - Hydroxocobalamin hydrochloride mixt
- Vitamedin-S (TN)

comment:
Mixture of Benfotiamine [DR:D01255], Pyridoxine hydrochloride [DR:D02179] and Hydroxocobalamin hydrochloride [DR:D04929] See [DR:D04911]


entry: D04935
remark: Therapeutic category: 3179
name:
--- 
- Thiamine disulfide phosphate - pyridoxine hydrochloride - cyanocobalamin mixt
- Vitamedin (TN)

comment:
Mixture of Thiamine disulfide phosphate [DR:D04933], Pyridoxine hydrochloride [DR:D02179] and Cyanocobalamin [DR:D00166] See [DR:D04911]


entry: D04955
name: --- - Sematilide hydrochloride (USAN)
formula: C14H23N3O3S. HCl
activity: Cardiac depressant [anti-arrhythmic]
kcf:
ATOM        22
            1   N1b N    16.2000  -16.6939
            2   S4a S    15.0132  -17.3921
            3   C1a C    13.7565  -16.6939
            4   C8y C    17.3869  -17.3921
            5   C8x C    18.5738  -16.6939
            6   C8x C    19.8305  -17.3921
            7   C8y C    19.8305  -18.7884
            8   C8x C    18.5738  -19.4865
            9   C8x C    17.3869  -18.7884
            10  C5a C    21.0173  -19.4865
            11  O5a O    21.0173  -20.8828
            12  N1b N    22.2042  -18.7884
            13  C1b C    23.4609  -19.4865
            14  C1b C    24.6477  -18.7884
            15  N1c N    25.8346  -19.4865
            16  C1b C    25.8346  -20.8828
            17  C1b C    27.0913  -18.7884
            18  C1a C    28.2782  -19.4865
            19  C1a C    27.0913  -21.5810
            20  O3c O    13.8007  -18.0921
            21  O3c O    16.2256  -18.0921
            22  X   Cl   32.4671  -20.2545
BOND        21
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     4   9 2
            10    7  10 1
            11   10  11 2
            12   10  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   15  17 1
            18   17  18 1
            19   16  19 1
            20    2  20 2
            21    2  21 2


entry: D04956
remark: Therapeutic category: 3229
name:
--- 
- Ferric chloride - manganese chloride - zinc sulfate - cupric sulfate - potassium iodide mixt
- Elemenmic (TN)

comment:
Mixture of Ferric chloride, Manganese chloride [DR:D04852], Zinc sulfate [DR:D01081], Cupric sulfate [DR:D03613] and Potassium iodide [DR:D01016]


entry: D04957
name: --- - Ferric chloride - zinc sulfate - cupric sulfate - potassium iodide mixt - Elemate (TN)
remark: Therapeutic category: 3229
comment:
Mixture of Ferric chloride, Zinc sulfate [DR:D01081], Cupric sulfate [DR:D03613] and Potassium iodide [DR:D01016]


entry: D04959
remark: Therapeutic category: 3262
name:
--- 
- Liver extract - flavin adenine dinucleotide
- Liver extract - flavin adenine dinucleotide sodium
- Adelavin (TN)

comment:
Mixture of Liver extract and Flavin adenine dinucleotide [DR:D0005] or Flavin adenine dinucleotide sodium [DR:D02011]


entry: D04960
name: --- - Malt extract - Malt extract (TN)
remark: Therapeutic category: 3272
comment:
Malt extract is the millet jelly one that starch is saccharified by malt, the potassium carbonate is added, and the decompression concentrate was done.


entry: D04981
name: --- - Tromethamol - sodium chloride - potassium chloride mixt - Tham Set (TN)
remark: Therapeutic category: 3399
comment:
Mixture of Tromethamol [DR:D00396], Sodium chloride [DR:D02056] and Potassium chloride [DR:D02060] with Water for injection [DR:D00001] (for dilution) and Glacial acetic acid [DR:D00010] (for correction liquid)


entry: D05023
name: --- - Sulfamonomethoxine hydrate (JP15) - Daimeton (TN)
formula: C11H12N4O3S. H2O
remark: Therapeutic category: 6213
kcf:
ATOM        20
            1   C8x C    27.0200  -16.5200
            2   C8y C    27.0200  -17.9200
            3   C8x C    25.7600  -18.6200
            4   C8x C    24.5700  -17.9200
            5   C8y C    24.5700  -16.5200
            6   C8x C    25.7600  -15.8200
            7   N1a N    28.2100  -18.6200
            8   S4a S    23.3800  -15.8200
            9   N1b N    22.1900  -16.5200
            10  C8y C    20.9300  -15.8200
            11  C8x C    19.7400  -16.5200
            12  C8y C    18.5500  -15.8200
            13  N5x N    18.5500  -14.4200
            14  C8x C    19.7400  -13.7200
            15  N5x N    20.9300  -14.4200
            16  O2a O    17.2900  -16.5200
            17  O3c O    22.4000  -14.8400
            18  O3c O    24.3600  -14.8400
            19  C1a C    16.1000  -15.8200
            20  O0  O    29.4000  -14.4200
BOND        20
            1     3   4 2
            2     9  10 1
            3     4   5 1
            4     5   6 2
            5     6   1 1
            6     2   7 1
            7    10  11 2
            8    11  12 1
            9    12  13 2
            10   13  14 1
            11   14  15 2
            12   15  10 1
            13    1   2 2
            14   12  16 1
            15    5   8 1
            16    8  17 2
            17    2   3 1
            18    8  18 2
            19    8   9 1
            20   16  19 1


entry: D05024
name: --- - Mibefradi dihydrochloride (USAN) - Posicor (TN)
formula: C29H38FN3O3. 2HCl
activity: Vasodilator
kcf:
ATOM        38
            1   C1z C    21.7941  -16.1905
            2   C1y C    20.6239  -16.8076
            3   C1x C    21.7767  -14.8515
            4   C1b C    23.0342  -17.0230
            5   O7a O    24.0997  -13.9607
            6   C8y C    19.4770  -16.1089
            7   C1c C    20.5716  -18.1526
            8   C1x C    20.7114  -14.1354
            9   C1b C    24.2220  -16.3886
            10  C7a C    25.2989  -14.6476
            11  C8y C    19.4596  -14.7758
            12  C8x C    18.3068  -16.7436
            13  C1a C    19.3781  -18.7929
            14  C1a C    21.7068  -18.8744
            15  N1c N    25.3572  -17.1046
            16  C1b C    26.4808  -13.9607
            17  O7a O    25.2989  -16.0216
            18  C8x C    18.3826  -14.0539
            19  C8x C    17.1600  -16.0449
            20  C1b C    26.5508  -16.4641
            21  C1a C    25.3222  -18.4495
            22  O2a O    27.6685  -14.6476
            23  C8y C    17.1308  -14.7002
            24  C1b C    27.6802  -17.1919
            25  C1a C    28.8621  -13.9607
            26  X   F    16.0480  -13.9899
            27  C1b C    28.8736  -16.5514
            28  C8y C    30.0089  -17.2675
            29  N4x N    30.0436  -18.6182
            30  N5x N    31.2780  -16.7727
            31  C8y C    31.4177  -18.9327
            32  C8y C    32.1397  -17.7857
            33  C8x C    32.0467  -20.1087
            34  C8x C    33.4730  -17.7682
            35  C8x C    33.3857  -20.0910
            36  C8x C    34.1017  -19.0374
            37  X   Cl   35.2100  -15.4700
            38  X   Cl   35.2100  -15.4700
BOND        39
            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 #Up
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    7  14 1
            14    9  15 1
            15   10  16 1
            16   10  17 2
            17   11  18 1
            18   12  19 2
            19   15  20 1
            20   15  21 1
            21   16  22 1
            22   18  23 2
            23   20  24 1
            24   22  25 1
            25   23  26 1
            26   24  27 1
            27   27  28 1
            28   28  29 1
            29   28  30 2
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   32  34 1
            34   33  35 2
            35   34  36 2
            36    8  11 1
            37   19  23 1
            38   31  32 2
            39   35  36 1


entry: D05077
name: --- - Moricizine (USAN)
formula: C22H25N3O4S
activity: Cardiac depressant [anti-arrhythmic]
remark: Same as: C07743
kcf:
ATOM        30
            1   C8y C    23.2514  -19.4836
            2   N1y N    22.0493  -18.7834
            3   C8y C    23.2514  -20.8840
            4   C8x C    24.4533  -18.7834
            5   C8y C    20.8298  -19.4836
            6   C5a C    22.0435  -17.3889
            7   S2x S    22.0493  -21.5843
            8   C8x C    24.4533  -21.5843
            9   C8y C    25.6671  -19.4836
            10  C8y C    20.8298  -20.8840
            11  C8x C    19.6161  -18.7834
            12  C1b C    23.2572  -16.6887
            13  O5a O    20.8240  -16.6887
            14  C8x C    25.6671  -20.8840
            15  N1b N    26.8808  -18.7776
            16  C8x C    19.6161  -21.5843
            17  C8x C    18.3966  -19.4836
            18  C1b C    23.2572  -15.2942
            19  C7a C    28.0945  -19.4719
            20  C8x C    18.3966  -20.8840
            21  N1y N    24.4709  -14.5880
            22  O7a O    29.3082  -18.7660
            23  O7a O    28.0945  -20.8783
            24  C1x C    25.6729  -15.2882
            25  C1x C    24.5350  -13.1876
            26  C1b C    30.5160  -19.4662
            27  C1x C    26.8867  -14.5823
            28  C1x C    25.6729  -12.4876
            29  C1a C    31.7296  -18.7602
            30  O2x O    26.8867  -13.1818
BOND        33
            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     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    6  13 2
            13    8  14 2
            14    9  15 1
            15   10  16 1
            16   11  17 2
            17   12  18 1
            18   15  19 1
            19   16  20 2
            20   18  21 1
            21   19  22 1
            22   19  23 2
            23   21  24 1
            24   21  25 1
            25   22  26 1
            26   24  27 1
            27   25  28 1
            28   26  29 1
            29   27  30 1
            30    7  10 1
            31    9  14 1
            32   17  20 1
            33   28  30 1


entry: D05089
activity: Immunizing agent [active]
remark: Therapeutic category: 6313
name:
--- 
- Freeze-dried live attenuated mumps vaccine (JP15)
- Mumps virus vaccine live (USP)
- Mumpsvax (TN)


entry: D05140
name: --- - Fradiomycin B - Neomycin B
formula: C23H46N6O13
remark: Same as: C01737
comment: Component of Neomycin [CPD:C00384]
kcf:
ATOM        42
            1   C1y C    23.8000  -19.8100
            2   C1y C    25.2000  -19.8100
            3   C1y C    25.6326  -18.4785
            4   O2x O    24.5000  -17.6556
            5   C1y C    23.3674  -18.4785
            6   C1b C    22.1549  -17.7785
            7   C1y C    28.0575  -19.8785
            8   C1y C    28.0575  -18.4785
            9   O2a O    26.8451  -17.7785
            10  O1a O    25.9000  -21.0224
            11  C1y C    29.2699  -20.5785
            12  C1x C    30.4824  -19.8785
            13  C1y C    30.4824  -18.4785
            14  C1y C    29.2699  -17.7785
            15  N1a N    31.6948  -17.7785
            16  O2x O    31.6948  -16.3785
            17  C1y C    30.4824  -15.6785
            18  O2a O    29.2699  -16.3785
            19  C1y C    32.9072  -15.6785
            20  C1y C    32.9072  -14.2785
            21  C1y C    31.6948  -13.5785
            22  C1y C    30.4824  -14.2785
            23  N1a N    29.2699  -21.9800
            24  C1b C    34.1149  -16.3758
            25  O1a O    31.6948  -12.1801
            26  O1a O    26.8538  -20.5735
            27  N1a N    29.2466  -13.5646
            28  O1a O    34.1136  -13.5820
            29  O2a O    23.1000  -21.0224
            30  C1y C    21.7002  -21.0224
            31  O2x O    20.9903  -19.7932
            32  C1y C    19.5903  -19.7934
            33  C1y C    18.8904  -21.0059
            34  C1y C    19.6003  -22.2351
            35  C1y C    21.0003  -22.2349
            36  N1a N    21.7114  -23.4658
            37  O1a O    17.5000  -21.0060
            38  C1b C    18.8998  -18.5977
            39  O1a O    18.8894  -23.4663
            40  N1a N    17.5002  -18.5978
            41  N1a N    35.3067  -15.6875
            42  O1a O    22.1548  -16.3804
BOND        45
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 1 #Up
            7     7   8 1
            8     8   9 1 #Up
            9     3   9 1 #Up
            10    2  10 1 #Down
            11    7  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    8  14 1
            16   13  15 1 #Up
            17   16  17 1
            18   17  18 1 #Down
            19   14  18 1 #Down
            20   16  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   17  22 1
            25   11  23 1 #Up
            26   19  24 1 #Up
            27   21  25 1 #Up
            28    7  26 1 #Down
            29   22  27 1 #Down
            30   20  28 1 #Down
            31   30  29 1 #Down
            32   30  31 1
            33   31  32 1
            34   32  33 1
            35   33  34 1
            36   34  35 1
            37   30  35 1
            38    1  29 1 #Down
            39   35  36 1 #Down
            40   33  37 1 #Down
            41   32  38 1 #Down
            42   34  39 1 #Up
            43   38  40 1
            44   24  41 1
            45    6  42 1


entry: D05156
name: --- - Nicotine bitartrate (USAN) - Nicotine bitartrate dihydrate
formula: (C4H6O6)2. C10H14N2. 2H2O
activity: Treatment of smoking withdrawal syndrome
kcf:
ATOM        34
            1   C8x C     2.8141   -6.0996
            2   C8x C     2.8141   -7.5003
            3   N5x N     4.0271   -8.2007
            4   C8x C     5.2402   -7.5003
            5   C8y C     5.2402   -6.0996
            6   C8x C     4.0271   -5.3993
            7   C1y C     6.4720   -5.3883
            8   C1x C     7.7422   -5.9537
            9   C1x C     8.6726   -4.9203
            10  C1x C     7.9773   -3.7162
            11  N1y N     6.6172   -4.0054
            12  C1a C     5.5613   -3.0545
            13  O6a O    11.2931   -5.2506
            14  C6a C    12.5056   -5.9506
            15  C1c C    13.7181   -5.2506
            16  C1c C    14.9305   -5.9506
            17  C6a C    16.1431   -5.2506
            18  O6a O    17.3555   -5.9506
            19  O6a O    12.5056   -7.3505
            20  O1a O    13.7181   -3.8505
            21  O1a O    14.9305   -7.3506
            22  O6a O    16.1431   -3.8508
            23  O0  O    22.8200   -5.8100
            24  O6a O    11.2931   -5.2506
            25  C6a C    12.5056   -5.9506
            26  C1c C    13.7181   -5.2506
            27  C1c C    14.9305   -5.9506
            28  C6a C    16.1431   -5.2506
            29  O6a O    17.3555   -5.9506
            30  O6a O    16.1431   -3.8508
            31  O1a O    14.9305   -7.3506
            32  O1a O    13.7181   -3.8505
            33  O6a O    12.5056   -7.3505
            34  O0  O    22.8200   -5.8100
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   5 1 #Up
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    7  11 1
            13   11  12 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   14  19 2
            20   15  20 1 #Down
            21   16  21 1 #Down
            22   17  22 2
            23   24  25 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   25  33 2
            29   26  32 1 #Down
            30   27  31 1 #Down
            31   28  30 2


entry: D05187
remark: Therapeutic category: 6331
name:
--- 
- Gas gangrene antitoxin, equine (JP15)
- Gas gangrene antitoxin, pentavalent
- Freeze-dried gas gangrene antitoxin, equine (TN)


entry: D05189
name: --- - Sodium pertechnetate (99mTc) (JP15) - Sodium pertechnetate Tc 99m (USP) - Meditec (TN)
formula: TcO4. Na
activity: Radioactive agent
remark: Therapeutic category: 4300
kcf:
ATOM        6
            1   Z   Tc   14.7700  -14.6300
            2   O0  O    16.7300  -14.6300 #-
            3   O0  O    12.6700  -14.6300
            4   O0  O    14.7823  -13.2777
            5   O0  O    14.7700  -16.0300
            6   Z   Na   19.0400  -14.7700 #+
BOND        4
            1     1   2 2
            2     1   3 2
            3     1   4 2
            4     1   5 2


entry: D05197
name: --- - Nocodazole (USAN)
formula: C14H11N3O3S
activity: Antineoplastic
remark: Same as: C13719
kcf:
ATOM        21
            1   C8x C    14.3500  -12.6000
            2   C8y C    14.3500  -14.0000
            3   C8x C    15.5624  -14.7000
            4   C8y C    16.7749  -14.0000
            5   C8y C    16.7749  -12.6000
            6   C8x C    15.5624  -11.9000
            7   N5x N    18.1064  -14.4326
            8   C8y C    18.9293  -13.3000
            9   N4x N    18.1064  -12.1674
            10  N1b N    20.3000  -13.3000
            11  C5a C    13.1376  -14.7000
            12  C8y C    11.9421  -14.0096
            13  O5a O    13.1375  -16.0998
            14  C7a C    21.0000  -12.0876
            15  O7a O    22.3998  -12.0876
            16  O7a O    20.3096  -10.8921
            17  C1a C    23.0903  -10.8920
            18  S2x S    11.7951  -12.6110
            19  C8x C    10.4195  -12.3186
            20  C8x C     9.7163  -13.5365
            21  C8x C    10.6573  -14.5816
BOND        23
            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 2
            9     8   9 1
            10    5   9 1
            11    8  10 1
            12    2  11 1
            13   11  12 1
            14   11  13 2
            15   10  14 1
            16   14  15 1
            17   14  16 2
            18   15  17 1
            19   12  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   12  21 2


entry: D05239
name: --- - White ointment (JP15) - Ointment, white (USP)
activity: Pharmaceutic aid [ointment base, Oleaginous]
remark: Therapeutic category: 7121
comment:
Mixture of White beewax [DR:D4969], Sorbitan sesquioleate [DR:D05282] and White petrolatum [DR:D05304]


entry: D05254
activity: Dusting powder; Pharmaceutic aid; Pharmaceutic aid [tablet excipient]
remark: Same as: C00369 G10545 Therapeutic category: 7112
comment: Component of Supertah (TN)
name:
--- 
- Rice starch (JP15)
- Potato starch (JAN)
- Wheat starch (JAN)
- Sterch, topical (USP)
- Sterch, modified (NF)
- Sterch, potato (NF)
- Sterch, pregelatinized (NF)
- Sterch, pregelatinized modified (NF)
- Sterch, tapioca (NF)
- Sterch, wheat (NF)
- Starch
- Potato starch (TN)
- Rice starch (TN)


entry: D05259
name: --- - Omeprazole magnesium (USAN) - Prilosec OTC (TN)
formula: (C17H18N3O3S)2. Mg
activity: Gastric and secretory depressant
kcf:
ATOM        49
            1   C8y C    27.3775  -18.1445
            2   C8y C    28.0817  -16.9397
            3   N5x N    25.8763  -17.8535
            4   C8x C    28.0701  -19.3551
            5   N5x N    27.1389  -15.9037 #-
            6   C8x C    29.4729  -16.9514
            7   C8y C    25.8700  -16.4624
            8   C8y C    29.4612  -19.3610
            9   C8x C    30.1596  -18.1561
            10  S4a S    24.6653  -15.7698
            11  O2a O    30.1538  -20.5658
            12  C1b C    23.4604  -16.4682
            13  O3c O    24.6653  -14.3787
            14  C1a C    31.5449  -20.5715
            15  C8y C    22.2556  -15.7698
            16  C8y C    21.0509  -16.4682
            17  N5x N    22.2556  -14.3787
            18  C8y C    19.8402  -15.7698
            19  C1a C    21.0509  -17.8592
            20  C8x C    21.0509  -13.6803
            21  C8y C    19.8402  -14.3787
            22  O2a O    18.6355  -16.4682
            23  C1a C    18.6355  -13.6803
            24  C1a C    17.4307  -15.7698
            25  Z   Mg   35.1490  -16.9113 #2+
            26  C8y C    27.3775  -18.1445
            27  C8y C    28.0817  -16.9397
            28  N5x N    27.1389  -15.9037 #-
            29  C8y C    25.8700  -16.4624
            30  N5x N    25.8763  -17.8535
            31  S4a S    24.6653  -15.7698
            32  C1b C    23.4604  -16.4682
            33  C8y C    22.2556  -15.7698
            34  C8y C    21.0509  -16.4682
            35  C8y C    19.8402  -15.7698
            36  C8y C    19.8402  -14.3787
            37  C1a C    18.6355  -13.6803
            38  C8x C    21.0509  -13.6803
            39  N5x N    22.2556  -14.3787
            40  O2a O    18.6355  -16.4682
            41  C1a C    17.4307  -15.7698
            42  C1a C    21.0509  -17.8592
            43  O3c O    24.6653  -14.3787
            44  C8x C    29.4729  -16.9514
            45  C8x C    30.1596  -18.1561
            46  C8y C    29.4612  -19.3610
            47  C8x C    28.0701  -19.3551
            48  O2a O    30.1538  -20.5658
            49  C1a C    31.5449  -20.5715
BOND        52
            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     6   9 1
            9     7  10 1
            10    8  11 1
            11   10  12 1
            12   10  13 2
            13   11  14 1
            14   12  15 1
            15   15  16 2
            16   15  17 1
            17   16  18 1
            18   16  19 1
            19   17  20 2
            20   18  21 2
            21   18  22 1
            22   21  23 1
            23   22  24 1
            24    5   7 1
            25    8   9 2
            26   20  21 1
            27   26  27 1
            28   26  30 1
            29   26  47 2
            30   27  28 1
            31   27  44 2
            32   30  29 2
            33   47  46 1
            34   44  45 1
            35   29  31 1
            36   46  48 1
            37   31  32 1
            38   31  43 2
            39   48  49 1
            40   32  33 1
            41   33  34 2
            42   33  39 1
            43   34  35 1
            44   34  42 1
            45   39  38 2
            46   35  36 2
            47   35  40 1
            48   36  37 1
            49   40  41 1
            50   28  29 1
            51   46  45 2
            52   38  36 1


entry: D05261
name: --- - Omeprazole sodium injection (JAN) - Omepral (TN)
formula: C17H18N3O3S. Na. H2O
remark: Therapeutic category: 2329
kcf:
ATOM        26
            1   C8y C    27.9234  -18.0228
            2   C8y C    28.6287  -16.8160
            3   N5x N    26.4195  -17.7313
            4   C8x C    28.6170  -19.2355
            5   N5x N    27.6842  -15.7782 #-
            6   C8x C    30.0222  -16.8277
            7   C8y C    26.4134  -16.3378
            8   C8y C    30.0105  -19.2414
            9   C8x C    30.7102  -18.0345
            10  S4a S    25.2065  -15.6441
            11  O2a O    30.7043  -20.4483
            12  C1b C    23.9996  -16.3437
            13  O3c O    25.2065  -14.2505
            14  C1a C    32.0978  -20.4539
            15  C8y C    22.7927  -15.6441
            16  C8y C    21.5858  -16.3437
            17  N5x N    22.7927  -14.2505
            18  C8y C    20.3733  -15.6441
            19  C1a C    21.5858  -17.7371
            20  C8x C    21.5858  -13.5509
            21  C8y C    20.3733  -14.2505
            22  O2a O    19.1664  -16.3437
            23  C1a C    19.1664  -13.5509
            24  C1a C    17.9595  -15.6441
            25  Z   Na   30.4322  -15.8591 #+
            26  O0  O    34.0200  -18.4100
BOND        26
            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     6   9 1
            9     7  10 1
            10    8  11 1
            11   10  12 1
            12   10  13 2
            13   11  14 1
            14   12  15 1
            15   15  16 2
            16   15  17 1
            17   16  18 1
            18   16  19 1
            19   17  20 2
            20   18  21 2
            21   18  22 1
            22   21  23 1
            23   22  24 1
            24    5   7 1
            25    8   9 2
            26   20  21 1


entry: D05276
name: --- - Pirenzepine hydrochloride hydrate (JP15) - Gastrozepin (TN)
formula: C19H21N5O2. 2HCl. H2O
activity: Anti-ulcerative
remark: Therapeutic category: 2329
kcf:
ATOM        29
            1   N1y N    21.8571  -17.5506
            2   C8y C    23.1864  -17.5447
            3   C8y C    20.9981  -16.6393
            4   C5a C    21.8105  -18.9902
            5   C8y C    24.0280  -16.6335
            6   N5x N    23.5520  -18.7230
            7   C8y C    21.0329  -15.2577
            8   C8x C    19.7906  -17.3126
            9   C1b C    23.1399  -19.6868
            10  O5a O    20.6382  -19.7330
            11  N1x N    24.0280  -15.2985
            12  C8x C    25.2354  -16.9121
            13  C8x C    24.7536  -19.0018
            14  C5x C    22.4317  -14.4568
            15  C8x C    19.8429  -14.5380
            16  C8x C    18.6006  -16.5987
            17  N1y N    23.1689  -21.1320
            18  C8x C    25.6011  -18.0904
            19  O5x O    22.4257  -12.9359
            20  C8x C    18.6298  -15.2056
            21  C1x C    21.9268  -21.8691
            22  C1x C    24.4983  -21.8227
            23  C1x C    21.8861  -23.3088
            24  C1x C    24.5277  -23.2680
            25  N1y N    23.2212  -24.0110
            26  C1a C    23.2444  -25.4564
            27  X   Cl   28.9685  -20.1787
            28  O0  O    29.4000  -23.2400
            29  X   Cl   28.9685  -20.1787
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: D05277
name: --- - Formoterol fumarate (JP15) - Atock (TN)
formula: (C19H24N2O4. H2O)2. C4H4O4
remark: Therapeutic category: 2259
comment: Component of Symbicort (TN)
kcf:
ATOM        60
            1   C6a C    35.9468  -18.3767
            2   C2b C    37.1546  -19.0769
            3   O6a O    34.7391  -19.0769
            4   O6a O    35.9468  -16.9825
            5   C2b C    38.3680  -18.3767
            6   C6a C    39.5757  -19.0769
            7   O6a O    40.7834  -18.3767
            8   O6a O    39.5757  -20.4713
            9   C8y C    27.5834  -13.4426
            10  C8x C    26.3929  -12.7424
            11  C8x C    27.5834  -14.8432
            12  C1c C    28.7739  -12.7424
            13  C8y C    25.1325  -13.4426
            14  C8x C    26.3929  -15.5435
            15  C1b C    30.0344  -13.4426
            16  O1a O    28.7739  -11.3418
            17  C8y C    25.1325  -14.8432
            18  N1b N    23.9420  -12.7424
            19  N1b N    31.2248  -12.7424
            20  O1a O    23.9420  -15.5435
            21  C4a C    22.7515  -13.4426
            22  C1c C    32.4153  -13.4426
            23  O4a O    21.4910  -12.7424
            24  C1b C    33.6058  -12.7424
            25  C1a C    32.4153  -14.8432
            26  C8y C    34.8663  -13.4426
            27  C8x C    34.8663  -14.8432
            28  C8x C    36.0567  -12.7424
            29  C8x C    36.0567  -15.5435
            30  C8x C    37.2473  -13.4426
            31  C8y C    37.2473  -14.8432
            32  O2a O    38.5078  -15.6135
            33  C1a C    39.6983  -14.9132
            34  O0  O    40.0400  -12.3200
            35  C8y C    27.5834  -13.4426
            36  C8x C    26.3929  -12.7424
            37  C8y C    25.1325  -13.4426
            38  C8y C    25.1325  -14.8432
            39  O1a O    23.9420  -15.5435
            40  C8x C    26.3929  -15.5435
            41  C8x C    27.5834  -14.8432
            42  N1b N    23.9420  -12.7424
            43  C4a C    22.7515  -13.4426
            44  O4a O    21.4910  -12.7424
            45  C1c C    28.7739  -12.7424
            46  C1b C    30.0344  -13.4426
            47  N1b N    31.2248  -12.7424
            48  C1c C    32.4153  -13.4426
            49  C1b C    33.6058  -12.7424
            50  C8y C    34.8663  -13.4426
            51  C8x C    34.8663  -14.8432
            52  C8x C    36.0567  -15.5435
            53  C8y C    37.2473  -14.8432
            54  O2a O    38.5078  -15.6135
            55  C1a C    39.6983  -14.9132
            56  C8x C    37.2473  -13.4426
            57  C8x C    36.0567  -12.7424
            58  C1a C    32.4153  -14.8432
            59  O1a O    28.7739  -11.3418
            60  O0  O    40.0400  -12.3200
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   35  36 2
            35   35  41 1
            36   35  45 1
            37   36  37 1
            38   41  40 2
            39   45  46 1
            40   45  59 1
            41   37  38 2
            42   37  42 1
            43   46  47 1
            44   38  39 1
            45   42  43 1
            46   47  48 1
            47   43  44 2
            48   48  49 1
            49   48  58 1
            50   49  50 1
            51   50  51 2
            52   50  57 1
            53   51  52 1
            54   57  56 2
            55   52  53 2
            56   53  54 1
            57   54  55 1
            58   40  38 1
            59   56  53 1


entry: D05295
activity: Immunizing agent [active]
remark: Therapeutic category: 6313
name:
--- 
- Freeze-dried smallpox vaccine (JP15)
- Freeze-dried smallpox vaccine prepared in cell culture (JP15)
- Smallpox vaccine (USP)


entry: D05304
name: --- - White petrolatum (JP15) - Petrolatum, white (USP) - Moroline (TN)
activity: Pharmaceutic aid [oinment base, oleaginous] protectant [topical]
remark: Therapeutic category: 7121
comment:
Component of White oinment [DR:D05239], Absorptive ointment [DR:D05354], Duratears ointment (TN), Lacri-Lube NP (TN), Refresh PM (TN), Hydrophilic petrolatum [DR:D05332], Vusion (TN)


entry: D05312
name: --- - Oxycodone (USAN)
formula: C18H21NO4
activity: Analgesic [narcotic]
remark: Same as: C08018
kcf:
ATOM        23
            1   C1z C    23.8762  -18.4036
            2   C8y C    23.8702  -17.0454
            3   C1z C    25.0479  -19.0741
            4   C1y C    22.7161  -19.0858
            5   C8y C    22.6985  -16.3692
            6   C8y C    25.0420  -16.3692
            7   C1y C    26.2139  -18.3862
            8   C1x C    25.0536  -20.4149
            9   O1a O    26.2139  -20.0187
            10  O2x O    22.0106  -17.7452
            11  C5x C    22.7219  -20.4265
            12  C8y C    22.6985  -15.0168
            13  C1x C    26.2139  -17.0395
            14  C8x C    25.0420  -15.0168
            15  N1y N    27.3797  -19.0624
            16  C1x C    23.8936  -21.0970
            17  O5x O    21.5385  -21.0911
            18  C8x C    23.8702  -14.3406
            19  O2a O    21.5211  -14.3406
            20  C1a C    28.7321  -19.0624
            21  C1x C    27.3797  -17.7324
            22  C1x C    25.0886  -17.7036
            23  C1a C    20.2830  -15.0594
BOND        27
            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 1
            8     3   9 1 #Up
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 2
            12    6  13 1
            13    6  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   11  17 2
            17   12  18 1
            18   12  19 1
            19   15  20 1
            20    5  10 1
            21    7  13 1
            22   11  16 1
            23   14  18 2
            24   15  21 1
            25    1  22 1 #Up
            26   22  21 1
            27   19  23 1


entry: D05324
remark: Therapeutic category: 6313
name:
--- 
- Adsorbed hepatitis B vaccine (JP15)
- Adsorbed hepatitis B vaccine (huGK-14 cell origin) (JAN)
- Bimmugen (TN)


entry: D05328
name: --- - Sodium iodide (123I) (JP15) - Sodium iodide I 123 (USP) - Iodocapsule 123 (TN)
formula: NaI
activity: Diagnostic aid [thyroid function determination]; Radioactive agent
remark: Therapeutic category: 4300
kcf:
ATOM        2
            1   X   I    21.4200  -16.1700
            2   Z   Na   22.8200  -16.1700
BOND        1
            1     1   2 1


entry: D05329
name: --- - Ringer's solution (JP15) - Ringer's injection (USP)
activity: Replenisher [fluid]; Replenisher [electrolyte]
remark: Therapeutic category: 3319
comment:
Mixture of Sodium chloraide [DR:D02056], Potassium chloride [DR:D02060] and Calcium chloride hydrate [DR:D02256]


entry: D05332
name: --- - Hydrophilic petrolatum (JP15) - Petrolatum, hydrophilic (USP)
activity: Pharmaceutic aid [ointment base, absorbent]; Protectant [topical]
remark: Therapeutic category: 7121
comment:
Mixture of White beewax [DR:D04969], Stearyl alcohol [DR:D01924], Cholesterol [DR:D00040] and White petrolatum [DR:D05304]


entry: D05353
name: --- - Pantoprazole (USAN)
formula: C16H15F2N3O4S
activity: Anti-ulcerative
remark: Same as: C11806
kcf:
ATOM        26
            1   C8y C    25.1801  -20.3271
            2   C8y C    25.8877  -19.1164
            3   N5x N    23.8115  -20.0347
            4   C8x C    25.8760  -21.5437
            5   N4x N    24.9403  -18.0752
            6   C8x C    27.2857  -19.1282
            7   C8y C    23.6652  -18.6367
            8   C8y C    27.2740  -21.5496
            9   C8x C    27.9760  -20.3388
            10  S4a S    22.4545  -17.9408
            11  O2a O    27.9700  -22.7603
            12  C1b C    21.2438  -18.6426
            13  O3c O    22.4545  -16.5428
            14  C1c C    29.3680  -22.7661
            15  C8y C    20.0330  -17.9408
            16  C8y C    18.8223  -18.6426
            17  N5x N    20.0330  -16.5428
            18  C8y C    17.6058  -17.9408
            19  O2a O    18.8223  -20.0405
            20  C8x C    18.8223  -15.8410
            21  C8x C    17.6058  -16.5428
            22  O2a O    16.3951  -18.6426
            23  C1a C    15.1843  -17.9408
            24  X   F    30.0628  -23.9809
            25  X   F    30.0727  -21.5572
            26  C1a C    17.6103  -20.7402
BOND        28
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     3   7 2
            5     4   8 2
            6     6   9 2
            7     7  10 1
            8     8  11 1
            9    10  12 1
            10   10  13 2
            11   11  14 1
            12   12  15 1
            13   15  16 2
            14   15  17 1
            15   16  18 1
            16   16  19 1
            17   17  20 2
            18   18  21 2
            19   18  22 1
            20   22  23 1
            21    5   7 1
            22    8   9 1
            23   20  21 1
            24   14  24 1
            25    1   2 2
            26   14  25 1
            27    1   3 1
            28   19  26 1


entry: D05354
name: --- - Absorptive ointment (JP15)
remark: Therapeutic category: 7122
comment:
Mixture of White petrolatum [DR:D05304], Cetanol [DR:D00099], White beeswax [DR:D04969], Sorbitan sesquioleate [DR:D05282], Lauromacrogol [DR:D01539], Methyl parahydroxybenzoate [DR:D01400], Propyl parahydroxybenzoate [DR:D01422] and Purified water [DR:D00001]


entry: D05362
activity: Immunizing agent [active]
remark: Therapeutic category: 6313
comment: Component of Biavax (TN), M-M-R II (TN), M-R-Vax II (TN)
name:
--- 
- Freeze-dried live attenuated rubella vaccine (JP15)
- Rubella virus vaccine live (USP)
- Meruvax (TN)


entry: D05363
name: --- - Pullulan (JP15)
formula: C37H62O30
remark: Same as: C00480
kcf:
ATOM        69
            1   C1y C    29.1200  -15.7500
            2   C1y C    29.1200  -14.4200
            3   O2a O    27.6500  -16.8700
            4   C1y C    30.3100  -16.4500
            5   O2x O    30.3100  -13.7200
            6   C1b C    28.0000  -13.7200
            7   C1y C    26.4600  -17.0800
            8   C1y C    31.5000  -15.7500
            9   O1a O    30.3100  -17.7800
            10  C1y C    31.5000  -14.4200
            11  O1a O    28.0000  -12.3200
            12  O2x O    25.2700  -16.3800
            13  C1y C    26.4600  -18.4800
            14  O1a O    32.6900  -16.4500
            15  O2a O    32.6900  -13.7200
            16  C1y C    24.0800  -17.0800
            17  C1y C    25.2700  -19.1100
            18  O1a O    27.6500  -19.1100
            19  C1y C    33.8800  -13.0200
            20  C1y C    24.0800  -18.4800
            21  C1b C    22.8900  -16.3800
            22  O1a O    25.2700  -20.5100
            23  C1y C    33.8800  -11.6900
            24  C1y C    35.0700  -13.7200
            25  O1a O    22.8900  -19.1100
            26  O2a O    22.8900  -15.0500
            27  O2x O    35.0700  -10.9900
            28  C1b C    32.6900  -10.9900
            29  C1y C    36.2600  -13.0200
            30  O1a O    35.0700  -15.0500
            31  C1b C    21.8400  -14.2100
            32  C1y C    36.2600  -11.6900
            33  O1a O    31.6400  -11.9000
            34  O1a O    37.3800  -13.7200
            35  C1y C    19.9500  -14.9800
            36  O1a O    37.3800  -10.9900
            37  O2x O    18.7600  -14.3500
            38  C1y C    19.9500  -16.3800
            39  Z   *    37.3800   -8.4700
            40  C1y C    17.5700  -14.9800
            41  C1y C    18.7600  -17.0800
            42  O1a O    20.8600  -17.5700
            43  C1y C    17.5700  -16.3800
            44  C1b C    16.3800  -14.3500
            45  O1a O    18.7600  -18.4100
            46  O2a O    16.3800  -17.0800
            47  O1a O    15.3300  -15.1900
            48  C1y C    15.1900  -17.7100
            49  O2x O    14.0000  -17.0800
            50  C1y C    15.1900  -19.1100
            51  C1y C    12.8100  -17.7100
            52  C1y C    14.0000  -19.8100
            53  O1a O    16.3800  -19.8100
            54  C1y C    12.8100  -19.1100
            55  C1b C    11.6900  -17.0800
            56  O1a O    14.0000  -21.1400
            57  O2a O    11.6900  -19.8100
            58  O1a O    10.6400  -17.9200
            59  C1y C    10.5000  -20.4400
            60  O2x O     9.3100  -19.8100
            61  C1y C    10.5000  -21.8400
            62  C1y C     8.1200  -20.4400
            63  C1y C     9.3100  -22.5400
            64  O1a O    11.6200  -22.5400
            65  C1y C     8.1200  -21.8400
            66  C1a C     6.9300  -19.8100
            67  O1a O     9.3100  -23.8700
            68  O1a O     6.9300  -22.5400
            69  Z   *     5.3900  -20.4400
BOND        74
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     7   3 1 #Down
            7     4   8 1
            8     4   9 1 #Up
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13    8  14 1 #Down
            14   10  15 1 #Down
            15   12  16 1
            16   13  17 1
            17   13  18 1 #Down
            18   19  15 1 #Down
            19   16  20 1
            20   16  21 1 #Up
            21   17  22 1 #Up
            22   19  23 1
            23   19  24 1
            24   20  25 1 #Down
            25   21  26 1
            26   23  27 1
            27   23  28 1 #Up
            28   24  29 1
            29   24  30 1 #Up
            30   26  31 1
            31   27  32 1
            32   28  33 1
            33   29  34 1 #Down
            34   35  31 1 #Down
            35   32  36 1 #Down
            36   35  37 1
            37   35  38 1
            38   36  39 1
            39   37  40 1
            40   38  41 1
            41   38  42 1 #Down
            42   40  43 1
            43   40  44 1 #Up
            44   41  45 1 #Up
            45   43  46 1 #Down
            46   44  47 1
            47   48  46 1 #Down
            48   48  49 1
            49   48  50 1
            50   49  51 1
            51   50  52 1
            52   50  53 1 #Down
            53   51  54 1
            54   51  55 1 #Up
            55   52  56 1 #Up
            56   54  57 1 #Down
            57   55  58 1
            58   59  57 1 #Down
            59   59  60 1
            60   59  61 1
            61   60  62 1
            62   61  63 1
            63   61  64 1 #Down
            64   62  65 1
            65   62  66 1 #Up
            66   63  67 1 #Up
            67   65  68 1 #Down
            68   66  69 1
            69    8  10 1
            70   17  20 1
            71   29  32 1
            72   41  43 1
            73   52  54 1
            74   63  65 1


entry: D05366
name: --- - Procaterol hydrochloride hydrate (JP15)
formula: (C16H22N2O3)2. 2HCl. H2O
remark: Therapeutic category: 2259
kcf:
ATOM        45
            1   X   Cl   34.3000  -19.6700
            2   C8y C    20.2300  -19.9500
            3   C8y C    20.2300  -21.3500
            4   C8y C    21.4200  -22.0500
            5   C8y C    22.6800  -21.3500
            6   C8x C    22.6800  -19.9500
            7   C8x C    21.4200  -19.2500
            8   N4x N    19.0400  -22.0500
            9   C8y C    19.0400  -23.4500
            10  C8x C    20.2300  -24.1500
            11  C8x C    21.4200  -23.4500
            12  C1c C    23.8700  -22.0500
            13  C1c C    25.1300  -21.3500
            14  N1b N    26.3200  -22.0500
            15  C1c C    27.5100  -21.3500
            16  C1a C    28.7700  -22.0500
            17  O1a O    23.8700  -23.4500
            18  C1b C    25.1300  -19.9500
            19  C1a C    27.5100  -19.9500
            20  C1a C    23.8700  -19.2500
            21  O1a O    19.0400  -19.2500
            22  O5x O    17.8500  -24.1500
            23  X   Cl   34.3000  -21.3500
            24  O0  O    34.7900  -23.5200
            25  C8y C    20.2300  -19.9500
            26  C8y C    20.2300  -21.3500
            27  C8y C    21.4200  -22.0500
            28  C8y C    22.6800  -21.3500
            29  C8x C    22.6800  -19.9500
            30  C8x C    21.4200  -19.2500
            31  C1c C    23.8700  -22.0500
            32  C1c C    25.1300  -21.3500
            33  N1b N    26.3200  -22.0500
            34  C1c C    27.5100  -21.3500
            35  C1a C    28.7700  -22.0500
            36  C1a C    27.5100  -19.9500
            37  C1b C    25.1300  -19.9500
            38  C1a C    23.8700  -19.2500
            39  O1a O    23.8700  -23.4500
            40  C8x C    21.4200  -23.4500
            41  C8x C    20.2300  -24.1500
            42  C8y C    19.0400  -23.4500
            43  N4x N    19.0400  -22.0500
            44  O5x O    17.8500  -24.1500
            45  O1a O    19.0400  -19.2500
BOND        44
            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 2
            11    4  11 1
            12    5  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   12  17 1 #Up
            18   13  18 1 #Up
            19   15  19 1
            20   18  20 1
            21    2  21 1
            22    9  22 2
            23   25  26 2
            24   26  27 1
            25   27  28 2
            26   28  29 1
            27   29  30 2
            28   25  30 1
            29   26  43 1
            30   43  42 1
            31   42  41 1
            32   41  40 2
            33   27  40 1
            34   28  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   31  39 1 #Up
            40   32  37 1 #Up
            41   34  36 1
            42   37  38 1
            43   25  45 1
            44   42  44 2


entry: D05374
name: --- - Paroxetine hydrochloride (USP) - Paxil CR (TN)
formula: C19H20FNO3. HCl
comment: selective serotonin reuptake inhibitor (SSRI)
kcf:
ATOM        25
            1   C1y C    25.2966  -20.5661
            2   C1y C    24.0856  -21.2622
            3   C8y C    25.3023  -19.1620
            4   C1x C    26.5074  -21.2622
            5   C1b C    22.8746  -20.5661
            6   C1x C    24.0856  -22.6663
            7   C8x C    26.5133  -18.4659
            8   C8x C    24.0913  -18.4659
            9   C1x C    26.5074  -22.6663
            10  O2a O    21.6576  -21.2622
            11  N1x N    25.2966  -23.3626
            12  C8x C    26.5133  -17.0677
            13  C8x C    24.0913  -17.0619
            14  C8y C    20.4465  -20.5601
            15  C8y C    25.3023  -16.3657
            16  C8x C    20.4525  -19.1679
            17  C8x C    19.2415  -21.2681
            18  X   F    25.2381  -14.9675
            19  C8y C    19.2472  -18.4659
            20  C8x C    18.0305  -20.5661
            21  C8y C    18.0305  -19.1679
            22  O2x O    18.9607  -17.0911
            23  O2x O    16.9891  -18.2260
            24  C1x C    17.5624  -16.9391
            25  X   Cl   29.5912  -22.1540
BOND        27
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13   10  14 1
            14   12  15 2
            15   14  16 2
            16   14  17 1
            17   15  18 1
            18   16  19 1
            19   17  20 2
            20   19  21 2
            21   19  22 1
            22   21  23 1
            23   22  24 1
            24    9  11 1
            25   13  15 1
            26   20  21 1
            27   23  24 1


entry: D05429
name: --- - Aminophylline hydrate (JP15)
formula: (C7H8N4O2)2. C2H8N2. xH2O
remark: Therapeutic category: 2115 2251
kcf:
ATOM        31
            1   C8y C    17.5000  -15.6800
            2   C8y C    17.5000  -17.0800
            3   C8y C    18.6900  -14.9800
            4   N4x N    16.1000  -15.2600
            5   N4y N    18.6900  -17.7800
            6   N5x N    16.1700  -17.5000
            7   N4y N    19.8800  -15.6800
            8   O5x O    18.6900  -13.5800
            9   C8x C    15.3300  -16.3800
            10  C8y C    19.8800  -17.0800
            11  C1a C    18.6900  -19.1800
            12  C1a C    21.1400  -14.9800
            13  O5x O    21.1400  -17.7800
            14  C1b C    27.7200  -15.9600
            15  C1b C    28.9100  -16.6600
            16  N1a N    26.5300  -16.6600
            17  N1a N    30.1700  -15.9600
            18  O0  O    35.2100  -16.0300
            19  C8y C    17.5000  -15.6800
            20  C8y C    17.5000  -17.0800
            21  N4y N    18.6900  -17.7800
            22  C8y C    19.8800  -17.0800
            23  O5x O    21.1400  -17.7800
            24  N4y N    19.8800  -15.6800
            25  C8y C    18.6900  -14.9800
            26  O5x O    18.6900  -13.5800
            27  C1a C    21.1400  -14.9800
            28  C1a C    18.6900  -19.1800
            29  N5x N    16.1700  -17.5000
            30  C8x C    15.3300  -16.3800
            31  N4x N    16.1000  -15.2600
BOND        31
            1    14  15 1
            2    14  16 1
            3    15  17 1
            4     1   2 2
            5     1   3 1
            6     1   4 1
            7     2   5 1
            8     2   6 1
            9     3   7 1
            10    3   8 2
            11    4   9 1
            12    5  10 1
            13    5  11 1
            14    7  12 1
            15   10  13 2
            16    6   9 2
            17    7  10 1
            18   19  20 2
            19   19  25 1
            20   19  31 1
            21   20  21 1
            22   20  29 1
            23   25  24 1
            24   25  26 2
            25   31  30 1
            26   21  22 1
            27   21  28 1
            28   24  27 1
            29   22  23 2
            30   29  30 2
            31   24  22 1


entry: D05453
name: --- - Phencyclidine hydrochloride (USAN) - PCP
formula: C17H25N. HCl
activity: Anesthetic
kcf:
ATOM        19
            1   C1z C    24.5700  -19.2039
            2   C8y C    23.3642  -19.9089
            3   N1y N    25.7815  -19.9089
            4   C1x C    25.7815  -18.4933
            5   C1x C    23.3525  -18.5049
            6   C8x C    23.3642  -21.3069
            7   C8x C    22.1584  -19.2039
            8   C1x C    25.7815  -21.3069
            9   C1x C    26.9933  -19.2039
            10  C1x C    25.7758  -17.0895
            11  C1x C    23.3468  -17.1011
            12  C8x C    22.1584  -22.0059
            13  C8x C    20.9409  -19.9089
            14  C1x C    26.9933  -22.0000
            15  C1x C    28.2048  -19.9089
            16  C1x C    24.5583  -16.4021
            17  C8x C    20.9409  -21.3069
            18  C1x C    28.2048  -21.3069
            19  X   Cl   29.8200  -17.9900
BOND        20
            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 1
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   12  17 1
            17   14  18 1
            18   11  16 1
            19   13  17 2
            20   15  18 1


entry: D05461
name: --- - Enoxacin hydrate (JP15) - Flumark (TN)
formula: (C15H17FN4O3)3. 2H2O
remark: Therapeutic category: 6241
kcf:
ATOM        71
            1   C8y C    30.8700  -15.8200
            2   C8y C    30.8700  -14.4200
            3   N4y N    32.0600  -16.5200
            4   N5x N    29.6800  -16.5200
            5   C8y C    32.1300  -13.7200
            6   C8x C    29.6800  -13.7200
            7   C8x C    33.3200  -15.8200
            8   C1b C    32.0600  -17.9200
            9   C8y C    28.4900  -15.8200
            10  C8y C    33.3200  -14.4200
            11  O5x O    32.1300  -12.3200
            12  C8y C    28.4900  -14.4200
            13  C1a C    30.8700  -18.6200
            14  N1y N    27.2300  -16.5200
            15  C6a C    34.5100  -13.7200
            16  X   F    27.2300  -13.7200
            17  C1x C    27.2300  -17.9200
            18  C1x C    26.0400  -15.8200
            19  O6a O    35.7700  -14.4200
            20  O6a O    34.5100  -12.3200
            21  C1x C    26.0400  -18.6200
            22  C1x C    24.8500  -16.5200
            23  N1x N    24.8500  -17.9200
            24  O0  O    40.1100  -15.5400
            25  C8y C    30.8700  -15.8200
            26  C8y C    30.8700  -14.4200
            27  C8y C    32.1300  -13.7200
            28  C8y C    33.3200  -14.4200
            29  C6a C    34.5100  -13.7200
            30  O6a O    35.7700  -14.4200
            31  O6a O    34.5100  -12.3200
            32  C8x C    33.3200  -15.8200
            33  N4y N    32.0600  -16.5200
            34  C1b C    32.0600  -17.9200
            35  C1a C    30.8700  -18.6200
            36  O5x O    32.1300  -12.3200
            37  C8x C    29.6800  -13.7200
            38  C8y C    28.4900  -14.4200
            39  X   F    27.2300  -13.7200
            40  C8y C    28.4900  -15.8200
            41  N5x N    29.6800  -16.5200
            42  N1y N    27.2300  -16.5200
            43  C1x C    27.2300  -17.9200
            44  C1x C    26.0400  -18.6200
            45  N1x N    24.8500  -17.9200
            46  C1x C    24.8500  -16.5200
            47  C1x C    26.0400  -15.8200
            48  C8y C    30.8700  -15.8200
            49  C8y C    30.8700  -14.4200
            50  C8y C    32.1300  -13.7200
            51  C8y C    33.3200  -14.4200
            52  C6a C    34.5100  -13.7200
            53  O6a O    35.7700  -14.4200
            54  O6a O    34.5100  -12.3200
            55  C8x C    33.3200  -15.8200
            56  N4y N    32.0600  -16.5200
            57  C1b C    32.0600  -17.9200
            58  C1a C    30.8700  -18.6200
            59  O5x O    32.1300  -12.3200
            60  C8x C    29.6800  -13.7200
            61  C8y C    28.4900  -14.4200
            62  X   F    27.2300  -13.7200
            63  C8y C    28.4900  -15.8200
            64  N5x N    29.6800  -16.5200
            65  N1y N    27.2300  -16.5200
            66  C1x C    27.2300  -17.9200
            67  C1x C    26.0400  -18.6200
            68  N1x N    24.8500  -17.9200
            69  C1x C    24.8500  -16.5200
            70  C1x C    26.0400  -15.8200
            71  O0  O    40.1100  -15.5400
BOND        75
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    8  13 1
            13    9  14 1
            14   10  15 1
            15   12  16 1
            16   14  17 1
            17   14  18 1
            18   15  19 1
            19   15  20 2
            20   17  21 1
            21   18  22 1
            22   21  23 1
            23    7  10 2
            24    9  12 1
            25   22  23 1
            26   25  26 2
            27   25  33 1
            28   25  41 1
            29   26  27 1
            30   26  37 1
            31   33  32 1
            32   33  34 1
            33   41  40 2
            34   27  28 1
            35   27  36 2
            36   37  38 2
            37   34  35 1
            38   40  42 1
            39   28  29 1
            40   38  39 1
            41   42  43 1
            42   42  47 1
            43   29  30 1
            44   29  31 2
            45   43  44 1
            46   47  46 1
            47   44  45 1
            48   32  28 2
            49   40  38 1
            50   46  45 1
            51   48  49 2
            52   48  56 1
            53   48  64 1
            54   49  50 1
            55   49  60 1
            56   56  55 1
            57   56  57 1
            58   64  63 2
            59   50  51 1
            60   50  59 2
            61   60  61 2
            62   57  58 1
            63   63  65 1
            64   51  52 1
            65   61  62 1
            66   65  66 1
            67   65  70 1
            68   52  53 1
            69   52  54 2
            70   66  67 1
            71   70  69 1
            72   67  68 1
            73   55  51 2
            74   63  61 1
            75   69  68 1


entry: D05462
name: --- - Oxycodone hydrochloride hydrate (JP15)
formula: C18H21NO4. HCl. 3H2O
activity: Analgesic [narcotic]
remark: Therapeutic category: 8119
kcf:
ATOM        27
            1   C1z C    21.3500  -16.8700
            2   C8y C    21.3500  -15.4700
            3   C1z C    22.5400  -17.5000
            4   C1y C    20.2300  -17.5000
            5   C8y C    20.2300  -14.8400
            6   C8y C    22.5400  -14.8400
            7   C1y C    23.7300  -16.8000
            8   C1x C    22.5400  -18.8300
            9   O1a O    23.7300  -18.4800
            10  O2x O    19.5300  -16.1700
            11  C5x C    20.2300  -18.8300
            12  C8y C    20.2300  -13.4400
            13  C1x C    23.7300  -15.4700
            14  C8x C    22.5400  -13.4400
            15  N1y N    24.8500  -17.5000
            16  C1x C    21.4200  -19.5300
            17  O5x O    19.0400  -19.5300
            18  C8x C    21.3500  -12.8100
            19  O2a O    19.0400  -12.8100
            20  C1a C    26.1800  -17.5000
            21  C1x C    24.8500  -16.1700
            22  C1x C    22.6100  -16.2400
            23  C1a C    17.7800  -13.5100
            24  X   Cl   30.5200  -13.4400
            25  O0  O    30.9400  -15.8900
            26  O0  O    30.9400  -17.4300
            27  O0  O    30.9400  -18.9000
BOND        27
            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 1
            8     3   9 1 #Up
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 2
            12    6  13 1
            13    6  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   11  17 2
            17   12  18 1
            18   12  19 1
            19   15  20 1
            20    5  10 1
            21    7  13 1
            22   11  16 1
            23   14  18 2
            24   15  21 1
            25    1  22 1 #Up
            26   22  21 1
            27   19  23 1


entry: D05482
name: --- - Pinacidil (USAN) - Pindac (TN)
formula: C13H19N5. H2O
activity: Antihypertensive
remark: Same as: C13729
kcf:
ATOM        19
            1   C8y C    20.7002  -18.7440
            2   N2b N    21.9108  -18.0431
            3   C2c C    23.1215  -18.7440
            4   N1b N    24.3321  -18.0431
            5   C1c C    25.5427  -18.7440
            6   C1d C    26.7532  -18.0431
            7   C8x C    19.4879  -18.0460
            8   C8x C    18.2772  -18.7469
            9   N5x N    18.2789  -20.1458
            10  C8x C    19.4913  -20.8438
            11  C8x C    20.7019  -20.1429
            12  N1b N    23.1215  -20.1458
            13  C1a C    25.5427  -20.1458
            14  C1a C    26.0453  -16.8253
            15  C1a C    27.4470  -19.2537
            16  C1a C    27.9729  -17.3522
            17  C3b C    21.9037  -20.8395
            18  N3a N    20.6861  -21.5335
            19  O0  O    32.2860  -19.4520
BOND        18
            1     7   8 1
            2     8   9 2
            3     9  10 1
            4    10  11 2
            5    11   1 1
            6     3  12 1
            7     5   6 1
            8     5  13 1
            9     2   3 2
            10    6  14 1
            11    6  15 1
            12    3   4 1
            13    6  16 1
            14    1   2 1
            15   12  17 1
            16    4   5 1
            17   17  18 3
            18    1   7 2


entry: D05526
activity: Blood volume supporter
remark: Therapeutic category: 6343
name:
--- 
- Plasma protein fraction (USP)
- Human plasma protein fraction
- Plasmanate
- Plasma plex (TN)


entry: D05527
activity: Replenisher [platelets]
remark: Therapeutic category: 6342
name:
--- 
- Platelet concentrate (USP)
- Concentrated human blood platelet
- PC
- Platelet concentrate HLA (TN)


entry: D05538
name: --- - Mozenavir
formula: C33H36N4O3
remark: Therapeutic category: 6250
kcf:
ATOM        40
            1   N1y N    21.8862  -17.2473
            2   C5x C    23.1477  -16.6399
            3   N1y N    24.4170  -17.2414
            4   C1y C    24.7341  -18.5993
            5   C1y C    21.5801  -18.6269
            6   C1y C    23.8702  -19.7096
            7   C1y C    22.4647  -19.7178
            8   O1a O    21.8593  -20.9975
            9   O1a O    24.4997  -20.9871
            10  C1b C    20.1931  -18.9542
            11  C8y C    19.7899  -20.2960
            12  C1b C    20.8105  -16.3948
            13  C8y C    19.4922  -16.9174
            14  C8x C    18.4103  -16.0602
            15  C8y C    17.1048  -16.5776
            16  C8x C    16.9001  -17.9667
            17  C8x C    17.9821  -18.8238
            18  C8x C    19.2875  -18.3065
            19  C8x C    18.4323  -20.6162
            20  C8x C    18.0282  -21.9610
            21  C8x C    18.9907  -22.9834
            22  C8x C    20.3484  -22.6631
            23  C8x C    20.7525  -21.3183
            24  N1a N    16.0178  -15.7161
            25  C1b C    25.5032  -16.3655
            26  C8y C    26.7966  -16.8651
            27  C8x C    27.0122  -18.2439
            28  C8x C    28.3221  -18.7497
            29  C8x C    29.4151  -17.8682
            30  C8y C    29.1995  -16.4894
            31  C8x C    27.8896  -15.9836
            32  N1a N    30.2908  -15.6093
            33  C1b C    26.0878  -18.8964
            34  C8y C    26.5136  -20.2363
            35  C8x C    25.5855  -21.2539
            36  C8x C    26.0109  -22.5921
            37  C8x C    27.3825  -22.8928
            38  C8x C    28.3105  -21.8752
            39  C8x C    27.8852  -20.5370
            40  O5x O    23.1435  -15.2384
BOND        44
            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 1 #Up
            9     6   9 1 #Down
            10    5  10 1 #Up
            11   10  11 1
            12    1  12 1
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   11  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   11  23 1
            26   15  24 1
            27    3  25 1
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   26  31 1
            35   30  32 1
            36    4  33 1 #Down
            37   33  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
            44    2  40 2


entry: D05632
name: --- - Propoxyphene napsylate (USAN) - Darvon-N (TN)
formula: C22H29NO2. C10H8O3S. H2O
activity: Analgesic
comment: Component of Darvocet (TN)
kcf:
ATOM        40
            1   C1d C    20.2673  -18.4070
            2   C8y C    20.2615  -17.0007
            3   C1b C    19.0477  -19.1132
            4   C1c C    20.2673  -19.7958
            5   O7a O    21.4752  -19.0898
            6   C8x C    19.0477  -16.3004
            7   C8x C    21.4752  -16.3004
            8   C8y C    17.8339  -18.4070
            9   C1b C    21.4752  -20.5020
            10  C1a C    19.0477  -20.4903
            11  C7a C    22.6889  -18.3953
            12  C8x C    19.0477  -14.8942
            13  C8x C    21.4752  -14.8942
            14  C8x C    17.8339  -17.0123
            15  C8x C    16.6200  -19.1189
            16  N1c N    21.4752  -21.8965
            17  C1b C    23.9028  -19.0839
            18  O7a O    22.6889  -16.9890
            19  C8x C    20.2615  -14.1997
            20  C8x C    16.6143  -16.3121
            21  C8x C    15.4122  -18.4187
            22  C1a C    22.6889  -22.5969
            23  C1a C    20.2615  -22.5969
            24  C1a C    25.1106  -18.3838
            25  C8x C    15.4064  -17.0123
            26  C8x C    28.1447  -17.6426
            27  C8x C    28.1447  -19.0431
            28  C8x C    29.3575  -19.7433
            29  C8y C    30.5703  -19.0431
            30  C8y C    30.5703  -17.6426
            31  C8x C    29.3575  -16.9424
            32  C8x C    31.7831  -19.7433
            33  C8x C    32.9959  -19.0431
            34  C8y C    32.9959  -17.6426
            35  C8x C    31.7831  -16.9424
            36  S4a S    34.1938  -16.9509
            37  O1d O    35.4066  -16.2507
            38  O3c O    33.4834  -15.7200
            39  O3c O    34.8832  -18.1455
            40  O0  O    31.2256  -21.6339
BOND        41
            1     1   2 1 #Up
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1 #Up
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 2
            14    8  15 1
            15    9  16 1
            16   11  17 1
            17   11  18 2
            18   12  19 1
            19   14  20 1
            20   15  21 2
            21   16  22 1
            22   16  23 1
            23   17  24 1
            24   20  25 2
            25   13  19 2
            26   21  25 1
            27   26  27 2
            28   27  28 1
            29   28  29 2
            30   29  30 1
            31   30  31 2
            32   26  31 1
            33   29  32 1
            34   32  33 2
            35   33  34 1
            36   34  35 2
            37   30  35 1
            38   34  36 1
            39   36  37 1
            40   36  38 2
            41   36  39 2


entry: D05699
name: --- - Ranitidine bismuth citrate (USAN) - Tritec (TN)
formula: C13H22N4O3S. C6H5O7. Bi
activity: Antagonist [to histamine H2 receptors]
kcf:
ATOM        35
            1   C8y C     5.3565   -6.7592
            2   O2x O     6.4749   -7.5981
            3   C8x C     5.7759   -5.4311
            4   C1b C     4.0982   -7.4582
            5   C8y C     7.5933   -6.7592
            6   C8x C     7.1739   -5.4311
            7   N1c N     2.9098   -6.7592
            8   C1b C     8.7817   -7.4582
            9   C1a C     1.7215   -7.4582
            10  C1a C     2.9098   -5.3612
            11  S2a S     9.9700   -6.7592
            12  C1b C    11.2282   -7.4582
            13  C1b C    12.4166   -6.7592
            14  N1b N    13.6049   -7.4582
            15  C2c C    14.8631   -6.7592
            16  C2b C    16.0515   -7.4582
            17  N1b N    14.8631   -5.3612
            18  N2b N    17.2399   -6.7592 #+
            19  C1a C    13.6049   -4.6622
            20  O3a O    17.2399   -5.3612
            21  O0  O    18.4981   -7.4582 #-
            22  C1d C    15.6865  -12.0045
            23  C1b C    14.4753  -12.7008
            24  C1b C    16.8978  -12.6948
            25  C6a C    16.3770  -10.7873
            26  O1a O    14.9784  -10.7873
            27  C6a C    13.2698  -12.0103
            28  C6a C    16.8861  -14.0935
            29  O0  O    15.6689   -9.5703 #-
            30  O6a O    17.7814  -10.7873
            31  O0  O    12.0587  -12.7125 #-
            32  O6a O    13.3281  -10.6119
            33  O0  O    18.0974  -14.7956 #-
            34  O6a O    15.6689  -14.7897
            35  Z   Bi    8.7500  -12.6000 #3+
BOND        33
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     7  10 1
            10    8  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 2
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 2
            20   18  21 1
            21    5   6 2
            22   22  23 1
            23   22  24 1
            24   22  25 1
            25   22  26 1
            26   23  27 1
            27   24  28 1
            28   25  29 1
            29   25  30 2
            30   27  31 1
            31   27  32 2
            32   28  33 1
            33   28  34 2


entry: D05740
name: --- - Rizatriptan sulfate (USAN)
formula: (C15H19N5)2. H2SO4. H2O
activity: Antimigraine
kcf:
ATOM        46
            1   C8y C    11.5921   -9.1833
            2   C8y C    11.5921  -10.5822
            3   C8y C    12.9214   -8.7537
            4   C8x C    10.3847   -8.4868
            5   N4x N    12.9214  -11.0175
            6   C8x C    10.3847  -11.2787
            7   C8x C    13.7398   -9.8799
            8   C1b C    13.2871   -7.4071
            9   C8y C     9.1715   -9.1833
            10  C8x C     9.1715  -10.5763
            11  C1b C    14.6395   -7.0703
            12  C1b C     7.8248   -8.8234
            13  N1c N    15.0168   -5.7294
            14  N4y N     7.4708   -7.4768
            15  C1a C    16.3694   -5.3870
            16  C1a C    13.8965   -4.5859
            17  C8x C     6.0777   -7.4821
            18  N5x N     7.8248   -6.1300
            19  N5x N     5.5727   -6.2519
            20  C8x C     6.6523   -5.3811
            21  S4a S    22.8431   -6.7506
            22  O3c O    22.8431   -5.3514
            23  O3c O    22.8431   -8.1498
            24  O1d O    21.4437   -6.7506
            25  O1d O    24.2422   -6.7506
            26  O0  O    23.3800  -10.0100
            27  C8y C    11.5921   -9.1833
            28  C8y C    11.5921  -10.5822
            29  N4x N    12.9214  -11.0175
            30  C8x C    13.7398   -9.8799
            31  C8y C    12.9214   -8.7537
            32  C1b C    13.2871   -7.4071
            33  C1b C    14.6395   -7.0703
            34  N1c N    15.0168   -5.7294
            35  C1a C    16.3694   -5.3870
            36  C1a C    13.8965   -4.5859
            37  C8x C    10.3847  -11.2787
            38  C8x C     9.1715  -10.5763
            39  C8y C     9.1715   -9.1833
            40  C8x C    10.3847   -8.4868
            41  C1b C     7.8248   -8.8234
            42  N4y N     7.4708   -7.4768
            43  C8x C     6.0777   -7.4821
            44  N5x N     5.5727   -6.2519
            45  C8x C     6.6523   -5.3811
            46  N5x N     7.8248   -6.1300
BOND        48
            1    21  22 2
            2    21  23 2
            3    21  24 1
            4    21  25 1
            5     1   2 1
            6     1   3 1
            7     1   4 2
            8     2   5 1
            9     2   6 2
            10    3   7 2
            11    3   8 1
            12    4   9 1
            13    6  10 1
            14    8  11 1
            15    9  12 1
            16   11  13 1
            17   12  14 1
            18   13  15 1
            19   13  16 1
            20   14  17 1
            21   14  18 1
            22   17  19 2
            23   18  20 2
            24    5   7 1
            25    9  10 2
            26   19  20 1
            27   27  28 1
            28   27  31 1
            29   27  40 2
            30   28  29 1
            31   28  37 2
            32   31  30 2
            33   31  32 1
            34   40  39 1
            35   37  38 1
            36   32  33 1
            37   39  41 1
            38   33  34 1
            39   41  42 1
            40   34  35 1
            41   34  36 1
            42   42  43 1
            43   42  46 1
            44   43  44 2
            45   46  45 2
            46   29  30 1
            47   39  38 2
            48   44  45 1


entry: D05781
name: --- - Saccharin calcium (USP)
formula: 7H2O. (C7H4NO3S)2. Ca
activity: Sweetener [non-nutritive]
remark: Therapeutic category: 7149
kcf:
ATOM        32
            1   C8y C    25.6987  -16.8988
            2   C8y C    25.6925  -18.2957
            3   S2x S    27.0194  -18.7311
            4   N2x N    27.8411  -17.6033 #-
            5   C5x C    27.0294  -16.4683
            6   C8x C    23.2726  -18.3002
            7   C8x C    24.4858  -18.9985
            8   C8x C    24.4892  -16.1970
            9   C8x C    23.2743  -16.8995
            10  O5x O    27.3847  -15.1051
            11  O3c O    26.1250  -19.8166
            12  O3c O    28.3468  -19.1863
            13  Z   Ca   32.0600  -15.6800 #2+
            14  O0  O    33.3900  -18.6200
            15  C8y C    25.6987  -16.8988
            16  C8y C    25.6925  -18.2957
            17  S2x S    27.0194  -18.7311
            18  N2x N    27.8411  -17.6033 #-
            19  C5x C    27.0294  -16.4683
            20  O5x O    27.3847  -15.1051
            21  O3c O    26.1250  -19.8166
            22  O3c O    28.3468  -19.1863
            23  C8x C    24.4858  -18.9985
            24  C8x C    23.2726  -18.3002
            25  C8x C    23.2743  -16.8995
            26  C8x C    24.4892  -16.1970
            27  O0  O    33.3900  -18.6200
            28  O0  O    33.3900  -18.6200
            29  O0  O    33.3900  -18.6200
            30  O0  O    33.3900  -18.6200
            31  O0  O    33.3900  -18.6200
            32  O0  O    33.3900  -18.6200
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     6   7 2
            5     7   2 1
            6     1   8 1
            7     8   9 2
            8     9   6 1
            9     4   5 1
            10    5  10 2
            11    5   1 1
            12    3  11 2
            13    3  12 2
            14   15  16 2
            15   16  17 1
            16   17  18 1
            17   24  23 2
            18   23  16 1
            19   15  26 1
            20   26  25 2
            21   25  24 1
            22   18  19 1
            23   19  20 2
            24   19  15 1
            25   17  21 2
            26   17  22 2


entry: D05900
name: --- - Timoprazole
formula: C13H11N3OS
kcf:
ATOM        18
            1   C8y C    26.0252  -20.1353
            2   C8y C    26.7306  -18.9284
            3   N5x N    24.5215  -19.8438
            4   C8x C    26.7190  -21.3479
            5   N4x N    25.7862  -17.8906
            6   C8x C    28.1242  -18.9400
            7   C8y C    24.5152  -18.4503
            8   C8x C    28.1125  -21.3538
            9   C8x C    28.8121  -20.1469
            10  S4a S    23.3084  -17.7565
            11  C1b C    22.1015  -18.4561
            12  O3c O    23.3084  -16.3630
            13  C8y C    20.8946  -17.7565
            14  C8x C    19.6878  -18.4561
            15  N5x N    20.8946  -16.3630
            16  C8x C    18.4751  -17.7565
            17  C8x C    19.6878  -15.6634
            18  C8x C    18.4751  -16.3630
BOND        20
            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     6   9 1
            9     7  10 1
            10   10  11 1
            11   10  12 2
            12   11  13 1
            13   13  14 2
            14   13  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    5   7 1
            19    8   9 2
            20   17  18 1


