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
Structure for Pentobarbital Sodium (DBSALT000442)
- 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-]
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.248 mg/mL ALOGPS logP 2.22 ALOGPS logP 2.63 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 1.39 Chemaxon pKa (Strongest Basic) -4 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 85.08 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 69.2 m3·mol-1 Chemaxon Polarizability 22.83 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon