KEGG   DRUG: ButabarbitalHelp
Entry
D03180                      Drug                                   

Name
Butabarbital (USP);
Secbutabarbital (BAN)
Formula
C10H16N2O3
Exact mass
212.1161
Mol weight
212.2456
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01837  Barbiturate sedative-hypnotics
Remark
Same as: C07827
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
     D03180  Butabarbital (USP)
BRITE hierarchy
Other DBs
CAS: 125-40-6
PubChem: 17397334
ChEBI: 3228
ChEMBL: CHEMBL449
DrugBank: DB00237
LigandBox: D03180
NIKKAJI: J5.371F
LinkDB All DBs
KCF data Show

ATOM        15
            1   C1z C    34.1308  -18.6492
            2   C5x C    32.9353  -17.9668
            3   C5x C    34.1308  -20.0663
            4   C1c C    35.5187  -18.6433
            5   C1b C    34.1891  -17.2437
            6   N1x N    31.7107  -18.6492
            7   O5x O    32.9353  -16.5731
            8   N1x N    32.9353  -20.7661
            9   O5x O    35.3438  -20.7661
            10  C1b C    36.2128  -17.4304
            11  C1a C    36.2244  -19.8564
            12  C1a C    35.3962  -16.5265
            13  C5x C    31.7107  -20.0663
            14  C1a C    37.6065  -17.4304
            15  O5x O    30.4919  -20.7661
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 2
            15    8  13 1

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