KEGG   DRUG: D07319Help
Entry
D07319                      Drug                                   

Name
Gedocarnil (INN)
Formula
C23H21ClN2O4
Exact mass
424.119
Mol weight
424.8768
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05B ANXIOLYTICS
    N05BX Other anxiolytics
     N05BX02 Gedocarnil
      D07319  Gedocarnil (INN)
BRITE hierarchy
Other DBs
CAS: 
109623-97-4
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8y C    16.7300  -21.8400
            2   C8y C    16.7300  -23.2400
            3   C8y C    18.0615  -23.6726
            4   C8y C    18.8844  -22.5400
            5   N4x N    18.0615  -21.4074
            6   C8x C    15.5176  -21.1400
            7   C8x C    14.3051  -21.8400
            8   C8x C    14.3051  -23.2400
            9   C8y C    15.5176  -23.9400
            10  O2a O    15.5176  -25.3398
            11  C8y C    14.3220  -26.0302
            12  C8x C    13.1348  -25.3448
            13  C8x C    11.9224  -26.0447
            14  C8y C    11.9223  -27.4447
            15  C8x C    13.1095  -28.1302
            16  C8x C    14.3219  -27.4302
            17  X   Cl   10.6954  -28.1533
            18  C8y C    18.6309  -24.9516
            19  C8y C    20.0232  -25.0979
            20  N5x N    20.8462  -23.9653
            21  C8x C    20.2767  -22.6863
            22  C1b C    17.8191  -26.0683
            23  O2a O    17.8191  -27.4683
            24  C1a C    16.6420  -28.1476
            25  C7a C    20.6043  -26.4022
            26  O7a O    22.0043  -26.4022
            27  O6a O    19.8405  -27.5788
            28  C1c C    22.6927  -27.5950
            29  C1a C    24.0799  -27.5951
            30  C1a C    21.9959  -28.8014
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    2   9 2
            11    9  10 1
            12   10  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    3  18 2
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24    4  21 2
            25   18  22 1
            26   22  23 1
            27   23  24 1
            28   19  25 1
            29   25  26 1
            30   25  27 2
            31   26  28 1
            32   28  29 1
            33   28  30 1

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