pentobarbitone

Ligand id: 5480

Name: pentobarbitone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 75.27
Molecular weight 226.13
XLogP 2.08
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1973, prior history not available))
IUPAC Name
5-ethyl-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trione
International Nonproprietary Names
INN number INN
703 pentobarbital
Synonyms
(±)-pentobarbital | (RS)-pentobarbital | Nembutal® | NSC 28708 | pentobarbital sodium | pentobarbituric acid
Database Links
CAS Registry No. 76-74-4
ChEBI CHEBI:7983
ChEMBL Ligand CHEMBL448
DrugBank Ligand DB00312
PubChem CID 4737
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Wikipedia Pentobarbitone
Comments
Pentobarbital is a racemic mixture of two enantiomers; (R)-pentobarbital and (S)-pentobarbital.