Pentobarbital SodiumProduct ingredient for Pentobarbital

Name
Pentobarbital Sodium
Drug Entry
Pentobarbital

A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236)

Accession Number
DBSALT000442
Structure
Synonyms
Not Available
UNII
NJJ0475N0S
CAS Number
57-33-0
Weight
Average: 248.254
Monoisotopic: 248.113687095
Chemical Formula
C11H17N2NaO3
InChI Key
QGMRQYFBGABWDR-UHFFFAOYSA-M
InChI
InChI=1S/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1
IUPAC Name
sodium 5-ethyl-6-hydroxy-2-oxo-5-(pentan-2-yl)-2,5-dihydropyrimidin-4-olate
SMILES
[Na+].CCCC(C)C1(CC)C(O)=NC(=O)N=C1[O-]
Human Metabolome Database
HMDB0304826
KEGG Compound
C07423
PubChem Compound
14075609
ChemSpider
5762
ChEBI
7984
ChEMBL
CHEMBL971
Predicted Properties
PropertyValueSource
Water Solubility0.248 mg/mLALOGPS
logP2.22ALOGPS
logP2.63Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)1.39Chemaxon
pKa (Strongest Basic)-4Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area85.08 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity69.2 m3·mol-1Chemaxon
Polarizability22.83 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon