KEGG   DRUG: D02252Help
Entry
D02252                      Drug                                   

Name
Amobarbital sodium (JAN/USP);
Amytal sodium (TN)
Product
  Other
Formula
C11H17N2O3. Na
Exact mass
248.1137
Mol weight
248.254
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Sedative-hypnotic
Remark
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  
 
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Drug interaction
Structure map
Hypnotics
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
     N05CA02 Amobarbital
      D02252  Amobarbital sodium (JP16/USP)
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]
     Amobarbital [ATC:N05CA02]
      D02252  Amobarbital sodium (JP16/USP)
BRITE hierarchy
Other DBs
CAS: 
64-43-7
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        17
            1   C1z C    21.8287  -17.3774
            2   C5x C    21.8287  -18.7879
            3   C5x C    20.6106  -16.6723
            4   C1b C    23.3150  -17.3833
            5   C1b C    21.8171  -16.0252
            6   N1x N    20.6106  -19.4933
            7   O5x O    23.0411  -19.4933
            8   N2x N    19.3867  -17.3774
            9   O5x O    20.6106  -15.2677
            10  C1b C    24.0203  -16.3809
            11  C1a C    23.0295  -15.3141
            12  C2y C    19.3867  -18.7879
            13  C1c C    25.4540  -16.3866
            14  O1a O    18.1625  -19.4933 #-
            15  C1a C    26.1593  -17.6048
            16  C1a C    26.1593  -15.1685
            17  Z   Na   16.0533  -19.5067 #+
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    5  11 1
            11    6  12 1
            12   10  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 1
            16    8  12 2

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