Aprobarbital sodiumProduct ingredient for Aprobarbital
- Name
- Aprobarbital sodium
- Drug Entry
- Aprobarbital
Aprobarbital is a barbiturate derivative synthesized in the 1920s by Ernst Preiswerk. It was determined that the substance was capable of demonstrating sedative, hypnotic, and anticonvulsant effects. A primary treatment indicated for the use of aprobarbital was subsequently insomnia. Aprobarbital was never as widely used as more common barbiturate derivatives such as phenobarbital and is now rarely prescribed.
- Accession Number
- DBSALT002230
- Structure
Structure for Aprobarbital sodium (DBSALT002230)
- Synonyms
- Not Available
- UNII
- 6T90V76R18
- CAS Number
- 125-88-2
- Weight
- Average: 232.215
Monoisotopic: 232.08238657 - Chemical Formula
- C10H13N2NaO3
- InChI Key
- HLFOAHHCDKJHCJ-UHFFFAOYSA-M
- InChI
- InChI=1S/C10H14N2O3.Na/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14;/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15);/q;+1/p-1
- IUPAC Name
- sodium 2,4,6-trioxo-5-(prop-2-en-1-yl)-5-(propan-2-yl)-1,3-diazinan-1-ide
- SMILES
- [Na+].CC(C)C1(CC=C)C(=O)NC(=O)[N-]C1=O
- External Links
- ChemSpider
- 29066
- Predicted Properties
Property Value Source Water Solubility 10.9 mg/mL ALOGPS logP 1.09 ALOGPS logP 1.14 Chemaxon logS -1.3 ALOGPS pKa (Strongest Acidic) 7.48 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 72.47 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 52.65 m3·mol-1 Chemaxon Polarizability 20.1 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