KEGG   DRUG: BarbitalHelp
Entry
D01740                      Drug                                   

Name
Barbital (JP17/INN);
Barbital (TN)
Formula
C8H12N2O3
Exact mass
184.0848
Mol weight
184.1925
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01837  Barbiturate sedative-hypnotics
 DG01567  GABA-A receptor agonist
Remark
ATC code: N05CA04
Efficacy
Sedative-hypnotic
Comment
Barbiturates
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Drug interaction
Structure map
map07032  Hypnotics
map07033  Anticonvulsants
map07230  GABA-A receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CA Barbiturates, plain
     N05CA04 Barbital
      D01740  Barbital (JP17/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D01740  Barbital (JP17/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01740  Barbital
Drug classes of therapeutic agents [br08360.html]
 Psychiatric agents
  D01740
BRITE hierarchy
Other DBs
CAS: 57-44-3
PubChem: 7848803
ChEBI: 31252
ChEMBL: CHEMBL444
LigandBox: D01740
NIKKAJI: J2.326D
LinkDB All DBs
KCF data Show

ATOM        13
            1   C1z C    21.9896  -17.3559
            2   C5x C    21.9896  -18.7559
            3   C5x C    20.7763  -16.6558
            4   C1b C    23.3780  -17.3559
            5   C1b C    21.9838  -15.9616
            6   N1x N    20.7763  -19.4617
            7   O5x O    23.2030  -19.4617
            8   N1x N    19.5571  -17.3559
            9   O5x O    20.7763  -15.2558
            10  C1a C    24.0663  -16.1483
            11  C1a C    23.1971  -15.2615
            12  C5x C    19.5571  -18.7559
            13  O5x O    18.3438  -19.4617
BOND        13
            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    5  11 1
            11    6  12 1
            12   12  13 2
            13    8  12 1

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