KEGG   DRUG: Chlordiazepoxide hydrochloride
Entry
D00693                      Drug                                   
Name
Chlordiazepoxide hydrochloride (JAN/USP);
Librium (TN)
Product
  Generic
Formula
C16H14ClN3O. HCl
Exact mass
335.0592
Mol weight
336.2158
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01567  GABA-A receptor agonist
 DG01914  Anxiolytics, benzodiazepine derivatives
Remark
ATC code: N05BA02
Chemical structure group: DG00908
Product (DG00908): D00267<JP> D00693<US>
Product (mixture): D10247<US>
Efficacy
Sedative-hypnotic
  Disease
Alcoholism [DS:H01611]
Comment
Benzodiazepine derivative
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Structure map
map07030  Anxiolytics
map07230  GABA-A receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05B ANXIOLYTICS
    N05BA Benzodiazepine derivatives
     N05BA02 Chlordiazepoxide
      D00693  Chlordiazepoxide hydrochloride (JAN/USP) <US>
USP drug classification [BR:br08302]
 Anxiolytics
  Benzodiazepines
   Chlordiazepoxide
    D00693  Chlordiazepoxide hydrochloride (JAN/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01567  GABA-A receptor agonist
   DG00908  Chlordiazepoxide
    D00693  Chlordiazepoxide hydrochloride
  DG01914  Anxiolytics, benzodiazepine derivatives
   DG00908  Chlordiazepoxide
    D00693  Chlordiazepoxide hydrochloride
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D00693  Chlordiazepoxide hydrochloride (JAN/USP) <US>
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01567  GABA-A receptor agonist
   DG00908  Chlordiazepoxide
  DG01914  Anxiolytics, benzodiazepine derivatives
   DG00908  Chlordiazepoxide
Other DBs
CAS: 438-41-5
PubChem: 7847758
ChEBI: 3612
LigandBox: D00693
NIKKAJI: J221.151C
KCF data

ATOM        22
            1   C2y C    27.1723  -15.8483
            2   C8y C    26.3292  -14.7374
            3   C8y C    26.6648  -13.3790
            4   N2x N    27.9273  -12.8002
            5   N2y N    28.5798  -15.8036 #+
            6   C2y C    29.1824  -13.4232
            7   C1x C    29.4693  -14.7936
            8   C8x C    25.6565  -12.4094
            9   C8x C    24.3129  -12.7980
            10  C8y C    23.9773  -14.1564
            11  C8x C    24.9856  -15.1257
            12  C1a C    31.5608  -12.9254
            13  N1b N    30.2278  -12.4877
            14  X   Cl   22.6109  -14.5513
            15  C8y C    26.5371  -17.0995
            16  C8x C    25.1338  -17.0995
            17  O3a O    29.1538  -17.1181 #-
            18  C8x C    24.4330  -18.3135
            19  C8x C    25.1338  -19.5273
            20  C8x C    26.5371  -19.5273
            21  C8x C    27.2379  -18.3135
            22  X   Cl   31.4300  -19.0400
BOND        23
            1     3   4 1
            2     1   5 2
            3     4   6 2
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13   12  13 1
            14    6  13 1
            15   10  14 1
            16    1  15 1
            17   15  16 1
            18    5  17 1
            19   16  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   15  21 2

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