| Entry |
|
|---|
| Name |
Thiamylal;
5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid
|
|---|
| Formula |
C12H18N2O2S
|
|---|
| Exact mass |
254.1089
|
|---|
| Mol weight |
254.3485
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01837 Barbiturate sedative-hypnotics
DG01377 Thiamylal
D06106 Thiamylal
DG01567 GABA-A receptor agonist
DG01377 Thiamylal
D06106 Thiamylal
DG02030 Anesthetics
DG02027 General anesthetics
DG02025 Barbiturate anesthetics
DG01377 Thiamylal
D06106 Thiamylal
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
GABA (ionotropic)
GABR
D06106 Thiamylal
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 17
1 C1z C 24.6725 -18.5834
2 C5x C 24.6725 -19.9889
3 C5x C 23.4653 -17.8894
4 C1c C 26.0662 -18.5834
5 C1b C 24.6666 -17.1896
6 N1x N 23.4653 -20.6944
7 O5x O 25.8737 -20.6944
8 N1x N 22.2465 -18.5834
9 O5x O 23.4477 -16.4840
10 C1b C 26.7544 -17.3763
11 C2b C 25.8737 -16.4957
12 C2y C 22.2465 -19.9889
13 C1b C 28.1483 -17.3763
14 C2a C 25.8737 -15.0960
15 S0 S 21.0276 -20.6887
16 C1a C 28.8423 -16.1631
17 C1a C 26.7805 -19.8128
BOND 17
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 13 16 1
16 8 12 1
17 4 17 1
|
|---|
