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    17.9900  -19.3200
            2   C8y C    17.9900  -17.9200
            3   C8y C    19.3200  -17.5000
            4   C8y C    20.1600  -18.6200
            5   N4x N    19.3200  -19.7400
            6   C8x C    16.7300  -20.0200
            7   C8x C    15.5400  -19.3200
            8   C8x C    15.5400  -17.9200
            9   C8y C    16.7300  -17.2200
            10  O2a O    16.7300  -15.8200
            11  C8y C    15.5400  -15.1200
            12  C8x C    14.3500  -15.8200
            13  C8x C    13.1600  -15.1200
            14  C8y C    13.1600  -13.7200
            15  C8x C    14.3500  -13.0200
            16  C8x C    15.5400  -13.7200
            17  X   Cl   11.9000  -13.0200
            18  C8y C    19.8800  -16.2400
            19  C8y C    21.2800  -16.0300
            20  N5x N    22.1200  -17.2200
            21  C8x C    21.5600  -18.4800
            22  C1b C    19.0400  -15.1200
            23  C7a C    21.8400  -14.7700
            24  O7a O    23.2400  -14.7700
            25  O6a O    21.0700  -13.5800
            26  C1c C    23.9351  -15.9853
            27  C1a C    25.3397  -15.9911
            28  C1a C    23.2422  -17.1737
            29  O2a O    17.7118  -15.1427
            30  C1a C    16.9806  -13.9250
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   19  23 1
            27   23  24 1
            28   23  25 2
            29   24  26 1
            30   26  27 1
            31   26  28 1
            32   22  29 1
            33   29  30 1

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