phenobarbital

Ligand id: 2804

Name: phenobarbital

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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 2
Topological polar surface area 75.27
Molecular weight 232.08
XLogP 2.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (no date available))
IUPAC Name
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
International Nonproprietary Names
INN number INN
414 phenobarbital
Synonyms
fenobarbital | Luminal® | phenobarbital sodium | phenylethylbarbiturate
Database Links
BindingDB Ligand 50021437
CAS Registry No. 50-06-6 (source: Scifinder)
ChEBI CHEBI:8069
ChEMBL Ligand CHEMBL40
DrugBank Ligand DB01174
GtoPdb PubChem SID 135650817
NURSA Ligand 10.1621/VWIWGXSYW6
PubChem CID 4763
Search Google for chemical match using the InChIKey DDBREPKUVSBGFI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DDBREPKUVSBGFI
Search PubMed clinical trials phenobarbital
Search PubMed titles phenobarbital
Search PubMed titles/abstracts phenobarbital
Search UniChem for chemical match using the InChIKey DDBREPKUVSBGFI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DDBREPKUVSBGFI
Wikipedia Phenobarbital
Comments
Phenobarbital is also a component of the approved drug barbexaclone