Phenobarbital sodiumProduct ingredient for Phenobarbital

Name
Phenobarbital sodium
Drug Entry
Phenobarbital

A barbituric acid derivative that acts as a nonselective central nervous system depressant. It promotes binding to inhibitory gamma-aminobutyric acid subtype receptors, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.

Accession Number
DBSALT001491
Structure
Synonyms
Phenobarbital sodique / Phenobarbital sodium / Phenobarbital sodium salt / Phenobarbitalum natricum / Sodium 5-ethyl-5-phenylbarbiturate / Sodium phenobarbital / Sodium phenobarbitone / Sodium phenobarbiturate / Sodium phenylethylbarbiturate / Sodium phenylethylmalonylurea
UNII
SW9M9BB5K3
CAS Number
57-30-7
Weight
Average: 254.221
Monoisotopic: 254.0667365
Chemical Formula
C12H11N2NaO3
InChI Key
WRLGYAWRGXKSKG-UHFFFAOYSA-M
InChI
InChI=1S/C12H12N2O3.Na/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h3-7H,2H2,1H3,(H2,13,14,15,16,17);/q;+1/p-1
IUPAC Name
sodium 5-ethyl-4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-olate
SMILES
[Na+].CCC1(C(=O)NC([O-])=NC1=O)C1=CC=CC=C1
KEGG Drug
D00701
ChemSpider
5761
ChEBI
8070
ChEMBL
CHEMBL149972
Wikipedia
Phenobarbital
Predicted Properties
PropertyValueSource
Water Solubility0.365 mg/mLALOGPS
logP1.2ALOGPS
logP1.77Chemaxon
logS-2.8ALOGPS
pKa (Strongest Acidic)0.58Chemaxon
pKa (Strongest Basic)-3.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area81.59 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity70.62 m3·mol-1Chemaxon
Polarizability22.2 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon