KEGG   DRUG: D00714Help
Entry
D00714                      Drug                                   

Name
Thiopental sodium (JP16/USP/INN);
Pentothal (TN)
Formula
C11H17N2O2S. Na
Exact mass
264.0908
Mol weight
264.3196
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anesthetic [intravenous];
Anticonvulsant
Remark
Therapeutic category: 
ATC code: 
Comment
Barbiturates
Target
GABAA-receptor (picrotoxin binding site) agonist [HSA:2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 55879] [KO:K05175 K05181 K05184 K05185 K05186 K05189 K05192]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse  
 
Interaction
Drug interaction
Structure map
GABA-A receptor agonists/antagonists
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   111  General anesthetics
    1115  Barbiturates and thiobarbiturates
     D00714  Thiopental sodium (JP16/USP/INN)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01A ANESTHETICS, GENERAL
    N01AF Barbiturates, plain
     N01AF03 Thiopental
      D00714  Thiopental sodium (JP16/USP/INN)
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CA Barbiturates, plain
     N05CA19 Thiopental
      D00714  Thiopental sodium (JP16/USP/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   GABA-A
    GABAA-receptor (picrotoxin binding site) [HSA:2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 55879]  [KO:K05175 K05176 K05177 K05178 K05179 K05180 K05181 K05182 K05183 K05184 K05185 K05186 K05187 K05188 K05189 K05192]
     Thiopental [ATC:N01AF03 N05CA19]
      D00714  Thiopental sodium (JP16/USP/INN)
BRITE hierarchy
Other DBs
CAS: 
71-73-8
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        17
            1   C1z C    26.2911  -18.1358
            2   C5x C    25.0763  -17.4408
            3   C5x C    26.2911  -19.5434
            4   C1c C    27.6811  -18.1358
            5   C1b C    26.2851  -16.7400
            6   N1x N    23.8557  -18.1358
            7   O5x O    25.0646  -16.0333
            8   N2x N    25.0763  -20.2443
            9   O5x O    27.4941  -20.2443
            10  C1b C    28.3760  -16.9210
            11  C1a C    28.6680  -19.1229
            12  C1a C    27.4941  -16.0391
            13  C2y C    23.8557  -19.5434
            14  C1b C    29.7720  -16.9210
            15  S1a S    22.6350  -20.2383 #-
            16  C1a C    30.4612  -15.7120
            17  Z   Na   20.3971  -20.2427 #+
BOND        16
            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 2
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13   10  14 1
            14   13  15 1
            15   14  16 1
            16    8  13 2

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