KEGG   DRUG: D00430Help
Entry
D00430                      Drug                                   

Name
Secobarbital (USP/INN);
Seconal (TN)
Formula
C12H18N2O3
Exact mass
238.1317
Mol weight
238.2829
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Sedative-hypnotic
Remark
ATC code: 
Drug group: 
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
CYP induction: CYP2C9 [HSA:1559]
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
     N05CA06 Secobarbital
      D00430  Secobarbital (USP/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   GABA-A
    GABAA-receptor (picrotoxin binding site)
     Secobarbital
      D00430  Secobarbital (USP/INN)
Cytochrome P450 interactions [BR:br08309]
 Inducers
  CYP2C9
   Secobarbital
    D00430  Secobarbital (USP/INN)
BRITE hierarchy
Other DBs
CAS: 
76-73-3
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        17
            1   C1z C    25.4856  -18.1010
            2   C5x C    25.4856  -19.5018
            3   C5x C    24.2717  -17.4006
            4   C1c C    26.8747  -18.1010
            5   C1b C    25.4799  -16.7060
            6   N1x N    24.2717  -20.2079
            7   O5x O    26.6997  -20.2079
            8   N1x N    23.0519  -18.1010
            9   O5x O    24.2717  -15.9998
            10  C1b C    27.5634  -16.8928
            11  C1a C    27.5751  -19.3149
            12  C2b C    26.6938  -16.0056
            13  C5x C    23.0519  -19.5018
            14  C1b C    28.9642  -16.8928
            15  C2a C    26.6938  -14.6108
            16  O5x O    21.8380  -20.2079
            17  C1a C    29.6587  -15.6847
BOND        17
            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   12  15 2
            15   13  16 2
            16   14  17 1
            17    8  13 1

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