butabarbital

Ligand id: 7137

Name: butabarbital

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 82.25
Molecular weight 212.12
XLogP 2.5
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
5-(butan-2-yl)-5-ethyl-4,6-dihydroxy-2,5-dihydropyrimidin-2-one
International Nonproprietary Names
INN number INN
1152 secbutabarbital
Synonyms
Butisol®
Database Links
CAS Registry No. 125-40-6
ChEMBL Ligand CHEMBL449
DrugBank Ligand DB00237
GtoPdb PubChem SID 178103713
PubChem CID 2479
Search Google for chemical match using the InChIKey ZRIHAIZYIMGOAB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZRIHAIZYIMGOAB
Search PubMed clinical trials secbutabarbital
Search PubMed titles secbutabarbital
Search PubMed titles/abstracts secbutabarbital
Search UniChem for chemical match using the InChIKey ZRIHAIZYIMGOAB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZRIHAIZYIMGOAB
Wikipedia Butabarbital
Comments
Butabarbital is a prescription barbiturate sedative. It is used in relatively few countries due to its potential for abuse and dangerous interaction in combination with alcohol.