Celecoxib Carboxylic Acid Acyl-beta-D-Glucuronide

Description: Celecoxib carboxylic acid acyl-beta-D-glucuronide is a phase II metabolite of celecoxib . Celecoxib is an anti-inflammatory compound from the diaryl heterocycle class that selectively inhibits cyclooxygenase-2 (COX-2, IC50s = 22.9 and 0.05 µM for COX-1 and COX-2, respectively). Celecoxib carboxylic acid acyl-beta-D-glucuronide is a minor metabolite, accounting for 2% of the administered dose in human urine and rat bile. Target: Others. Smiles: C(F)(F)(F)C=1C=C(N(N1)C2=CC=C(S(N)(=O)=O)C=C2)C3=CC=C(C(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)=O)C=C3