phenobarbital


5-ethyl-5-phenylbarbiturate; 5-ethyl-5-phenylbarbituric acid; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione; luminal; phenobarbital; phenyl ethyl barbituric acid
Links:📏 NIST, 📖 PubMed
MeSH:Anticonvulsants; Central Nervous System Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP3A Inducers; GABA Modulators; Neurotransmitter Agents
CAS RN:[50-06-6]
Formula:C12H12N2O3; 232.24 g/mol
InChiKey:DDBREPKUVSBGFI-UHFFFAOYSA-N
SMILES:CCC1(C(=O)NC(=O)NC1=O)c2ccccc2
Molecular structure of phenobarbital
Toxicology (LD50):175 mg/Kg (cat, or); 235 mg/Kg(mouse, ip); 340 mg/Kg(mouse, ip); 325 mg/Kg(mouse, or); 150 mg/Kg(rabbit, ip); 185 mg/Kg(rabbit, iv); 150 mg/Kg(rabbit, or); 155 mg/Kg(rat, ip); 190 mg/Kg(rat, ip); 660 mg/Kg(rat, or); 200 mg/Kg(rat, sc)
Melting point:174 °C
Log10 partition octanol / water:1.47

Isomers

ethyl 6-methyl-4-oxopyrido[1,6-α]pyrimidine-3-carboxylate
Molecular structure of ethyl 6-methyl-4-oxopyrido[1,6-a]pyrimidine-3-carboxylate
ethyl 7-methyl-4-oxopyrido[1,2-α]pyrimidine-3-carboxylate
Molecular structure of ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
ethyl 8-methyl-4-oxopyrido[1,2-α]pyrimidine-3-carboxylate
Molecular structure of ethyl 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
Molecular structure of ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
8-hydroxy-6α,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Molecular structure of 8-hydroxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
4-(2-imidazol-1-ylethoxy)benzoic acid
Molecular structure of 4-(2-imidazol-1-ylethoxy)benzoic acid
3-methoxycarbonylmethyl-1-methyl-2(1H)-quinoxalinone
Molecular structure of 3-methoxycarbonylmethyl-1-methyl-2(1H)-quinoxalinone
nalidixic acid
Molecular structure of nalidixic acid
oxabetrinil
Molecular structure of oxabetrinil
phenobarbital
Molecular structure of phenobarbital
(R)-1-phenyl-3-acetamidopyrrolidine-2,5-dione
Molecular structure of (R)-1-phenyl-3-acetamidopyrrolidine-2,5-dione
sesbanine
Molecular structure of sesbanine