Entry |
|
Name |
Hexobarbital (JAN/INN) |
Formula |
C12H16N2O3
|
Exact mass |
236.1161
|
Mol weight |
236.267
|
Structure |
|
Simcomp |
|
Class |
|
Remark |
|
Efficacy |
Sedative-hypnotic |
Comment |
Barbiturates
|
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Interaction |
|
Structure map |
map07230 | GABA-A receptor agonists/antagonists |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N01 ANESTHETICS
N01A ANESTHETICS, GENERAL
N01AF Barbiturates, plain
N01AF02 Hexobarbital
D01071 Hexobarbital (JAN/INN)
N05 PSYCHOLEPTICS
N05C HYPNOTICS AND SEDATIVES
N05CA Barbiturates, plain
N05CA16 Hexobarbital
D01071 Hexobarbital (JAN/INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01837 Barbiturate sedative-hypnotics
D01071 Hexobarbital
DG01567 GABA-A receptor agonist
D01071 Hexobarbital
DG02030 Anesthetics
DG02027 General anesthetics
DG02025 Barbiturate anesthetics
D01071 Hexobarbital
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
GABA (ionotropic)
GABR
D01071 Hexobarbital (JAN/INN)
|
Other DBs |
|
LinkDB |
|
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
|