Ozagrel SodiumProduct ingredient for Ozagrel
- Name
- Ozagrel Sodium
- Drug Entry
- Ozagrel
Ozagrel has been used in trials studying the treatment of Dry Eye Syndromes.
- Accession Number
- DBSALT002123
- Structure
Structure for Ozagrel Sodium (DBSALT002123)
- Synonyms
- Not Available
- UNII
- 4X5577N3ET
- CAS Number
- 189224-26-8
- Weight
- Average: 250.233
Monoisotopic: 250.07182188 - Chemical Formula
- C13H11N2NaO2
- InChI Key
- NCNYJCOBUTXCBR-IPZCTEOASA-M
- InChI
- InChI=1S/C13H12N2O2.Na/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15;/h1-8,10H,9H2,(H,16,17);/q;+1/p-1/b6-5+;
- IUPAC Name
- sodium (2E)-3-{4-[(1H-imidazol-1-yl)methyl]phenyl}prop-2-enoate
- SMILES
- [Na+].[O-]C(=O)\C=C\C1=CC=C(CN2C=CN=C2)C=C1
- External Links
- ChemSpider
- 4445595
- Predicted Properties
Property Value Source Water Solubility 0.75 mg/mL ALOGPS logP 2.11 ALOGPS logP 1.19 Chemaxon logS -2.5 ALOGPS pKa (Strongest Acidic) 4.21 Chemaxon pKa (Strongest Basic) 6.75 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 57.95 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 76.36 m3·mol-1 Chemaxon Polarizability 23.41 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