| Entry |
|
|---|
| Name |
Phenobarbital diethylamine;
Gratusminal (TN) |
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| Formula |
C12H12N2O3. C4H11N
|
|---|
| Exact mass |
305.1739
|
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| Mol weight |
305.37
|
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| Structure |
|
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| Simcomp |
|
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| Class |
|
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| Remark |
| Product (DG00845): | D00506<JP> D00701<JP/US> |
|
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| Efficacy |
Anticonvulsant, Sedative-hypnotic |
|---|
| Comment |
Barbiturates
|
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Interaction |
|
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| Structure map |
| map07230 | GABA-A receptor agonists/antagonists |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N03 ANTIEPILEPTICS
N03A ANTIEPILEPTICS
N03AA Barbiturates and derivatives
N03AA02 Phenobarbital
D08356 Phenobarbital diethylamine
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01567 GABA-A receptor agonist
DG00845 Phenobarbital
D08356 Phenobarbital diethylamine
DG03199 Antiepileptic agent
DG01904 Barbiturate antiepileptic
DG00845 Phenobarbital
D08356 Phenobarbital diethylamine
Metabolizing enzyme inducer
DG01637 CYP1A2 inducer
DG00845 Phenobarbital
D08356 Phenobarbital diethylamine
DG02891 CYP2B6 inducer
DG00845 Phenobarbital
D08356 Phenobarbital diethylamine
DG02886 CYP2C9 inducer
DG00845 Phenobarbital
D08356 Phenobarbital diethylamine
DG02853 CYP3A/CYP3A4 inducer
DG00845 Phenobarbital
D08356 Phenobarbital diethylamine
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
GABA (ionotropic)
GABR
D08356 Phenobarbital diethylamine
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08356
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01567 GABA-A receptor agonist
DG00845 Phenobarbital
DG03199 Antiepileptic agent
DG01904 Barbiturate antiepileptic
DG00845 Phenobarbital
Metabolizing enzyme inducer
DG01637 CYP1A2 inducer
DG00845 Phenobarbital
DG02891 CYP2B6 inducer
DG00845 Phenobarbital
DG02886 CYP2C9 inducer
DG00845 Phenobarbital
DG02853 CYP3A/CYP3A4 inducer
DG00845 Phenobarbital
|
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| Other DBs |
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| KCF data |
ATOM 22
1 C1z C 19.9500 -18.3400
2 C8y C 21.1400 -17.6400
3 C5x C 18.6900 -17.6400
4 C5x C 19.9500 -19.7400
5 C1b C 21.1400 -19.0400
6 C8x C 22.3300 -18.2700
7 C8x C 21.1400 -16.2400
8 N1x N 17.5000 -18.3400
9 O5x O 18.6900 -16.2400
10 N1x N 18.6900 -20.4400
11 O5x O 21.1400 -20.4400
12 C1a C 22.5400 -19.0400
13 C8x C 23.5900 -17.5700
14 C8x C 22.3300 -15.4700
15 C5x C 17.5000 -19.7400
16 C8x C 23.5900 -16.1700
17 O5x O 16.3100 -20.4400
18 C1a C 27.4400 -19.1100
19 C1b C 28.6524 -18.4100
20 N1b N 29.8649 -19.1100
21 C1b C 31.0773 -18.4100
22 C1a C 32.2897 -19.1100
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 2
9 4 10 1
10 4 11 2
11 5 12 1
12 6 13 1
13 7 14 2
14 8 15 1
15 13 16 2
16 15 17 2
17 10 15 1
18 14 16 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
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