Hexobarbital sodiumProduct ingredient for Hexobarbital
- Name
- Hexobarbital sodium
- Drug Entry
- Hexobarbital
A barbiturate that is effective as a hypnotic and sedative.
- Accession Number
- DBSALT000914
- Structure
- Synonyms
- Not Available
- UNII
- I788X867K7
- CAS Number
- 50-09-9
- Weight
- Average: 258.253
Monoisotopic: 258.09803663 - Chemical Formula
- C12H15N2NaO3
- InChI Key
- SQMCFUSVGSBKFK-UHFFFAOYSA-M
- InChI
- InChI=1S/C12H16N2O3.Na/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16;/h6H,3-5,7H2,1-2H3,(H,13,15,17);/q;+1/p-1
- IUPAC Name
- sodium 5-(cyclohex-1-en-1-yl)-3,5-dimethyl-2,4,6-trioxo-1,3-diazinan-1-ide
- SMILES
- [Na+].CN1C(=O)[N-]C(=O)C(C)(C1=O)C1=CCCCC1
- External Links
- PubChem Compound
- 23664950
- ChemSpider
- 5545
- ChEMBL
- CHEMBL2104880
- Predicted Properties
Property Value Source Water Solubility 13.5 mg/mL ALOGPS logP 1.64 ALOGPS logP 1.25 Chemaxon logS -1.3 ALOGPS pKa (Strongest Acidic) 7.41 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 63.68 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 61.15 m3·mol-1 Chemaxon Polarizability 23.65 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon