KEGG   DRUG: HexobarbitalHelp
Entry
D01071                      Drug                                   

Name
Hexobarbital (JAN/INN)
Formula
C12H16N2O3
Exact mass
236.1161
Mol weight
236.267
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01837  Barbiturate sedative-hypnotics
 DG01567  GABA-A receptor agonist
 DG02030  Anesthetics
  DG02027  General anesthetics
   DG02025  Barbiturate anesthetics
 DG02027  General anesthetics
  DG02025  Barbiturate anesthetics
 DG02025  Barbiturate anesthetics
Remark
Same as: C11723
ATC code: N01AF02 N05CA16
Efficacy
Sedative-hypnotic
Comment
Barbiturates
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Drug interaction
Structure map
map07230  GABA-A receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01A ANESTHETICS, GENERAL
    N01AF Barbiturates, plain
     N01AF02 Hexobarbital
      D01071  Hexobarbital (JAN/INN)
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CA Barbiturates, plain
     N05CA16 Hexobarbital
      D01071  Hexobarbital (JAN/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D01071  Hexobarbital (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 56-29-1
PubChem: 7848134
ChEBI: 5706
ChEMBL: CHEMBL7728
DrugBank: DB01355
LigandBox: D01071
NIKKAJI: J1.915A
LinkDB All DBs
KCF data Show

ATOM        17
            1   C1x C    27.2206  -15.0108
            2   C1x C    27.2070  -13.6108
            3   C1x C    25.9848  -12.9227
            4   C2x C    24.7836  -13.6344
            5   C2y C    24.7972  -15.0344
            6   C1x C    26.0122  -15.7225
            7   C1z C    23.5912  -15.7454
            8   C5x C    22.3746  -15.0546
            9   N1x N    21.2384  -15.7656
            10  C5x C    21.1812  -17.1656
            11  N1y N    22.3997  -17.8545
            12  C5x C    23.6057  -17.1435
            13  C1a C    24.8163  -16.4342
            14  O5x O    24.8250  -17.8316
            15  C1a C    22.4123  -19.2543
            16  O5x O    19.9750  -17.8762
            17  O5x O    22.4331  -13.6548
BOND        18
            1     3   4 1
            2     4   5 2
            3     5   6 1
            4     7   8 1
            5     8   9 1
            6     9  10 1
            7    10  11 1
            8    11  12 1
            9    12   7 1
            10    6   1 1
            11    7  13 1
            12   12  14 2
            13    5   7 1
            14   11  15 1
            15    1   2 1
            16   10  16 2
            17    2   3 1
            18    8  17 2

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