Molecular Identity
pentobarbital
5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID: 4737
Pentobarbital is a member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups. It has a role as a GABAA receptor agonist.
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
305
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
pentobarbitalPentobarbitoneNembutalMebubarbitalPentobarbituric acidEthaminalDorsitalMebumal76-74-4RivadormPentobarbituratePentabarbitoneNeodorm (new)PentabarbitalPentobarbitalum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to pentobarbital
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