Vinbarbital sodiumProduct ingredient for Vinbarbital
- Name
- Vinbarbital sodium
- Drug Entry
- Vinbarbital
- Accession Number
- DBSALT002926
- Structure
Structure for Vinbarbital sodium (DBSALT002926)
- Synonyms
- Sodium vinbarbital
- UNII
- BAS6234GZ7
- CAS Number
- 125-44-0
- Weight
- Average: 246.242
Monoisotopic: 246.09803663 - Chemical Formula
- C11H15N2NaO3
- InChI Key
- OQLZQQCXUHKXAD-UHDJGPCESA-M
- InChI
- InChI=1S/C11H16N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h6H,4-5H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1/b7-6+;
- IUPAC Name
- sodium 5-ethyl-2,4,6-trioxo-5-[(2E)-pent-2-en-2-yl]-1,3-diazinan-1-ide
- SMILES
- [Na+].CC\C=C(/C)C1(CC)C(=O)NC(=O)[N-]C1=O
- External Links
- ChemSpider
- 4938342
- ChEMBL
- CHEMBL2107295
- Predicted Properties
Property Value Source Water Solubility 2.13 mg/mL ALOGPS logP 1.87 ALOGPS logP 1.49 Chemaxon logS -2.1 ALOGPS pKa (Strongest Acidic) 7.14 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 72.47 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 58.05 m3·mol-1 Chemaxon Polarizability 22.37 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