| Entry |
|
|---|
| Name |
Butobarbital (BAN);
Butethal;
Neonal (TN)
|
|---|
| Formula |
C10H16N2O3
|
|---|
| Exact mass |
212.1161
|
|---|
| Mol weight |
212.2456
|
|---|
| Structure |
   |
|---|
| Simcomp |
 |
|---|
| Class |
Neuropsychiatric agent
DG01837 Barbiturate sedative-hypnotics
|
|---|
| 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
N05 PSYCHOLEPTICS
N05C HYPNOTICS AND SEDATIVES
N05CA Barbiturates, plain
N05CA03 Butobarbital
D02618 Butobarbital (BAN)
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
GABA (ionotropic)
GABR
D02618 Butobarbital (BAN)
 |
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 15
1 C1z C 21.8984 -16.3567
2 C5x C 20.7027 -15.6742
3 C5x C 21.8984 -17.7740
4 C1b C 23.2866 -16.3508
5 C1b C 21.8867 -14.9510
6 N1x N 19.4777 -16.3567
7 O5x O 20.7027 -14.2802
8 N1x N 20.7027 -18.4740
9 O5x O 23.1116 -18.4740
10 C1b C 23.9807 -15.1376
11 C1a C 23.0942 -14.2335
12 C5x C 19.4777 -17.7740
13 C1b C 25.3747 -15.1376
14 O5x O 18.2586 -18.4740
15 C1a C 26.0746 -13.9302
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 5 11 1
11 6 12 1
12 10 13 1
13 12 14 2
14 13 15 1
15 8 12 1
|
|---|
