phenobarbital

Ligand id: 2804

Name: phenobarbital

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Structure and Physico-chemical Properties

2D Structure
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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 1.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (no date available))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
International Nonproprietary Names
INN number INN
414 phenobarbital
Synonyms
fenobarbital | Luminal® | phenobarb | phenobarbital sodium | phenobarbitone | phenylethylbarbiturate
Comments
Phenobarbital is also a component of the approved drug barbexaclone
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
Immunopaedia Search phenobarbital
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
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Search UniChem for chemical match using the InChIKey DDBREPKUVSBGFI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DDBREPKUVSBGFI
Wikipedia Phenobarbital