KEGG   DRUG: Butabarbital sodiumHelp
Entry
D00699                      Drug                                   

Name
Butabarbital sodium (USP);
Secbutabarbital sodium (INN);
Butabarb (TN);
Butisol sodium (TN)
Product
Formula
C10H15N2O3. Na
Exact mass
234.098
Mol weight
234.2275
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01837  Barbiturate sedative-hypnotics
Remark
Chemical structure group: DG01308
Product (DG01308): D00699<US>
Efficacy
Sedative-hypnotic
Comment
Barbiturates
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D00699  Butabarbital sodium (USP) <US>
BRITE hierarchy
Other DBs
CAS: 143-81-7
PubChem: 7847764
ChEBI: 3229
ChEMBL: CHEMBL1200982
LigandBox: D00699
NIKKAJI: J9.745D
LinkDB All DBs
KCF data Show

ATOM        16
            1   C1z C    19.2437  -11.5501
            2   C5x C    19.2437  -12.9660
            3   C5x C    18.0494  -10.8685
            4   C1c C    20.6363  -11.5443
            5   C1b C    19.2322  -10.1402
            6   N1x N    18.0494  -13.6652
            7   O5x O    20.4614  -13.6652
            8   N2x N    16.8258  -11.5501
            9   O5x O    18.0494   -9.4701
            10  C1b C    21.3238  -10.3325
            11  C1a C    21.3355  -12.7562
            12  C1a C    20.4440   -9.4294
            13  C2y C    16.8258  -12.9660
            14  C1a C    22.7163  -10.3325
            15  O1a O    15.6080  -13.6652 #-
            16  Z   Na   14.3728  -12.1153 #+
BOND        15
            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    8  13 2

» Japanese version   » Back

DBGET integrated database retrieval system