Ozagrel HydrochlorideProduct ingredient for Ozagrel
- Name
- Ozagrel Hydrochloride
- Drug Entry
- Ozagrel
Ozagrel has been used in trials studying the treatment of Dry Eye Syndromes.
- Accession Number
- DBSALT002122
- Structure
Structure for Ozagrel Hydrochloride (DBSALT002122)
- Synonyms
- Not Available
- UNII
- W222U960HS
- CAS Number
- 78712-43-3
- Weight
- Average: 264.71
Monoisotopic: 264.0665554 - Chemical Formula
- C13H13ClN2O2
- InChI Key
- CWKFWBJJNNPGAM-IPZCTEOASA-N
- InChI
- InChI=1S/C13H12N2O2.ClH/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);1H/b6-5+;
- IUPAC Name
- (2E)-3-{4-[(1H-imidazol-1-yl)methyl]phenyl}prop-2-enoic acid hydrochloride
- SMILES
- Cl.[H]\C(=C(\[H])C1=CC=C(CN2C=CN=C2)C=C1)C(O)=O
- External Links
- KEGG Compound
- C13144
- ChemSpider
- 4942625
- ChEBI
- 31954
- ChEMBL
- CHEMBL542549
- Predicted Properties
Property Value Source Water Solubility 0.424 mg/mL ALOGPS logP 1.79 ALOGPS logP 1.19 Chemaxon logS -2.7 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 1 Chemaxon Polar Surface Area 55.12 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 65.52 m3·mol-1 Chemaxon Polarizability 23.88 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