D number D01071
Classification Drug
Name Hexobarbital (JAN/INN)
Formula C12H16N2O3
Exact mass 236.1161
Mol weight 236.267
Structural Formula http://dbarchive.biosciencedbc.jp/archive/kegg_medicus/LATEST/drug/gif/D01071.gif
Sequence -
Sequence type -
Source -
Efficacy Sedative-hypnotic
Interaction -
KCF data ATOM 17
1 C1x C 27.2206 -15.0108
2 C1x C 27.2070 -13.6108
3 C1x C 25.9848 -12.9227
4 C2x C 24.7836 -13.6344
5 C2y C 24.7972 -15.0344
6 C1x C 26.0122 -15.7225
7 C1z C 23.5912 -15.7454
8 C5x C 22.3746 -15.0546
9 N1x N 21.2384 -15.7656
10 C5x C 21.1812 -17.1656
11 N1y N 22.3997 -17.8545
12 C5x C 23.6057 -17.1435
13 C1a C 24.8163 -16.4342
14 O5x O 24.8250 -17.8316
15 C1a C 22.4123 -19.2543
16 O5x O 19.9750 -17.8762
17 O5x O 22.4331 -13.6548

BOND 18
1 3 4 1
2 4 5 2
3 5 6 1
4 7 8 1
5 8 9 1
6 9 10 1
7 10 11 1
8 11 12 1
9 12 7 1
10 6 1 1
11 7 13 1
12 12 14 2
13 5 7 1
14 11 15 1
15 1 2 1
16 10 16 2
17 2 3 1
18 8 17 2