Molecular Identity
Phenobarbital
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID: 4763
Phenobarbital can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).
2D Structure
Properties
C12H12N2O3
Molecular Formula
232.23
Molecular Weight
g/mol
232.0848
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
75.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
339
Complexity
SMILES
Canonical SMILES
SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2Isomeric SMILES
SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2Synonyms(20)
phenobarbitalPhenobarbitoneLuminalPhenobarbitol50-06-6FenobarbitalNunolPhenylethylbarbiturateDormiralGardenalGardepanylNeurobarbPhenobarbituric acidAdonalAgrypnal
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Phenobarbital
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