KEGG   DRUG: ButalbitalHelp
Entry
D03182                      Drug                                   

Name
Butalbital (USP/INN);
Sandoptal (TN)
Formula
C11H16N2O3
Exact mass
224.1161
Mol weight
224.2563
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01837  Barbiturate sedative-hypnotics
Efficacy
Sedative-hypnotic
Comment
Barbiturates
Interaction
Drug interaction
Other DBs
CAS: 77-26-9
PubChem: 17397336
ChEBI: 102524
ChEMBL: CHEMBL454
DrugBank: DB00241
LigandBox: D03182
NIKKAJI: J4.555A
LinkDB All DBs
KCF data Show

ATOM        16
            1   C1z C    16.9456  -13.9010
            2   C5x C    16.9456  -15.3018
            3   C5x C    15.7317  -13.2006
            4   C1b C    18.6847  -13.9010
            5   C1b C    16.9399  -12.5060
            6   N1x N    15.7317  -16.0079
            7   O5x O    18.1597  -16.0079
            8   N1x N    14.5119  -13.9010
            9   O5x O    15.7317  -11.7998
            10  C1c C    19.6534  -12.6928
            11  C2b C    18.1538  -11.8056
            12  C5x C    14.5119  -15.3018
            13  C1a C    21.0542  -12.6928
            14  C2a C    18.1538  -10.4108
            15  O5x O    13.2980  -16.0079
            16  C1a C    19.1404  -11.3740
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   11  14 2
            14   12  15 2
            15    8  12 1
            16   10  16 1

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