Etoricoxib hydrochlorideProduct ingredient for Etoricoxib
- Name
- Etoricoxib hydrochloride
- Drug Entry
- Etoricoxib
Etoricoxib is a new COX-2 selective inhibitor. Current therapeutic indications are: treatment of rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, chronic low back pain, acute pain and gout. Like any other COX-2 selective inhibitor, Etoricoxib selectively inhibits isoform 2 of cyclo-oxigenase enzyme (COX-2) to reduce the generation of prostaglandins (PGs) from arachidonic acid. It is approved in more than 60 countries worldwide but not in the US.
- Accession Number
- DBSALT002328
- Structure
Structure for Etoricoxib hydrochloride (DBSALT002328)
- Synonyms
- Not Available
- UNII
- 138Y28RY5E
- CAS Number
- 202409-40-3
- Weight
- Average: 395.3
Monoisotopic: 394.0309543 - Chemical Formula
- C18H16Cl2N2O2S
- InChI Key
- NNGHGPAKTWAHHB-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H15ClN2O2S.ClH/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23;/h3-11H,1-2H3;1H
- IUPAC Name
- 5-chloro-3-(4-methanesulfonylphenyl)-6'-methyl-2,3'-bipyridine hydrochloride
- SMILES
- Cl.CC1=CC=C(C=N1)C1=C(C=C(Cl)C=N1)C1=CC=C(C=C1)S(C)(=O)=O
- External Links
- ChemSpider
- 16345023
- Predicted Properties
Property Value Source Water Solubility 0.00328 mg/mL ALOGPS logP 3.7 ALOGPS logP 2.79 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 19.69 Chemaxon pKa (Strongest Basic) 4.96 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 59.92 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 95.04 m3·mol-1 Chemaxon Polarizability 36.43 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon