Molecular Identity
Amobarbital
5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
PubChem CID: 2164
Amobarbital is a member of the class of barbiturates that is pyrimidine-2,4,6(1H,3H,5H)-trione substituted by a 3-methylbutyl and an ethyl group at position 5. Amobarbital has been shown to exhibit sedative and hypnotic properties.
2D Structure
Properties
C11H18N2O3
Molecular Formula
226.27
Molecular Weight
g/mol
226.1317
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
75.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
303
Complexity
SMILES
Canonical SMILES
SMILES: CCC1(C(=O)NC(=O)NC1=O)CCC(C)CIsomeric SMILES
SMILES: CCC1(C(=O)NC(=O)NC1=O)CCC(C)CSynonyms(20)
amobarbitalAmylobarbitoneIsomytalAmylobarbitalBarbamilBarbamylAmytalAmobarbitoneAmylbarbitoneBarbamyl acid57-43-2PentymalumSchiwanoxStadadormAmasust
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Amobarbital
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