secobarbital

Ligand id: 7615

Name: secobarbital

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: secobarbital

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 75.27
Molecular weight 238.13
XLogP 2.28
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1950))
IUPAC Name
5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
International Nonproprietary Names
INN number INN
146 secobarbital
Synonyms
Seconal®
Database Links
CAS Registry No. 76-73-3
ChEBI CHEBI:9073
ChEMBL Ligand CHEMBL447
DrugBank Ligand DB00418
PubChem CID 5193
Search Google for chemical match using the InChIKey KQPKPCNLIDLUMF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KQPKPCNLIDLUMF
Search PubMed clinical trials secobarbital
Search PubMed titles secobarbital
Search PubMed titles/abstracts secobarbital
Search UniChem for chemical match using the InChIKey KQPKPCNLIDLUMF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KQPKPCNLIDLUMF
Wikipedia Secobarbital
Comments
The approved drug is a racemic mixture of enantiomers; R-secobarbital and S-secobarbital. We show the non-stereo structure to represent the mixture.