desmethyl etoricoxib
Desmethyl etoricoxib is a demethylated derivative of the COX-2 inhibitor etoricoxib, characterized by a para-chloro-substituted benzene ring conjugated to a pyrazole sulfonamide moiety. The compound retains the core 4-chlorophenyl-sulfonamide-pyrazole scaffold of the parent drug but lacks a methyl group at the 5-position of the pyrazole ring, resulting in a reduced lipophilic profile. This structural modification alters its pharmacokinetic properties, rendering it a minor metabolic byproduct or synthetic impurity. Its precise analytical application includes serving as an HPLC reference standard for impurity profiling in etoricoxib drug substance batches.
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Molecular Formula
C17H13ClN2O2S
Molecular Weight
344.8000
CAS Number
202409-31-2
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PubChem CID
443378 ↗
IUPAC Name
5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine
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📝 Synonyms
202409-31-2
5-chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine
LBS494H5G7
5-Chloro-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine
RefChem:1072791
Desmethyl etoricoxib
5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine
2,3'-Bipyridine, 5-chloro-3-[4-(methylsulfonyl)phenyl]-
CHEMBL94938
L787257
🔬 Chemical Identifiers
CS(=O)(=O)C1=CC=C(C=C1)C2=C(N=CC(=C2)Cl)C3=CN=CC=C3
InChI=1S/C17H13ClN2O2S/c1-23(21,22)15-6-4-12(5-7-15)16-9-14(18)11-20-17(16)13-3-2-8-19-10-13/h2-11H,1H3
CUVUXNULRBGYON-UHFFFAOYSA-N
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