KEGG   DRUG: Tropantiol
Entry
D09026                      Drug                                   
Name
Tropantiol (INN/USAN)
Formula
C21H34ClN3S2
Exact mass
427.1883
Mol weight
428.10
Structure
Efficacy
Diagnostic
Comment
Diagnosis or exclusion of Parkinsonian syndrome with or without dopaminergic deficit
Other DBs
CAS: 189950-11-6
PubChem: 96025709
LigandBox: D09026
LinkDB
KCF data

ATOM        27
            1   C1x C    21.2100  -16.8700
            2   C1x C    21.5600  -15.6800
            3   C1y C    22.4000  -16.5900
            4   C1y C    22.7500  -15.4000
            5   N1y N    21.4900  -14.0700
            6   C1x C    24.2900  -16.5900
            7   C1y C    24.0100  -15.4000
            8   C1y C    25.3400  -17.1500
            9   C1a C    20.7200  -12.8800
            10  C8y C    26.0400  -15.9376
            11  C8x C    27.4398  -15.9376
            12  C8x C    28.1398  -14.7251
            13  C8y C    27.4398  -13.5127
            14  C8x C    26.0400  -13.5127
            15  C8x C    25.3400  -14.7251
            16  X   Cl   28.1410  -12.2982
            17  C1b C    24.6321  -14.1458
            18  N1c N    23.9321  -12.9334
            19  C1b C    22.5401  -12.9335
            20  C1b C    24.6269  -11.7301
            21  C1b C    21.8471  -11.7335
            22  S1a S    20.4402  -11.7336
            23  C1b C    26.0269  -11.7301
            24  N1b N    26.7310  -10.5424
            25  C1b C    28.1309  -10.5320
            26  C1b C    28.8219   -9.3144
            27  S1a S    30.2219   -9.3040
BOND        29
            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    8  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   13  16 1
            19    7  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 1
            23   19  21 1
            24   21  22 1
            25   20  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1

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