Celecoxib Carboxylic Acid Acyl-beta-D-Glucuronide

Celecoxib carboxylic acid acyl-beta-D-glucuronide is a metabolite of the non-steroidal anti-inflammatory drug (NSAID) and COX-2 inhibitor celecoxib (Cay-10008672). It is formed via a multi-step process in which celecoxib undergoes hydroxylation to form hydroxy celecoxib (Cay-33994) by the cytochrome P450 (CYP) isoforms CYP2C9, CYP3A4, and CYP2D6, followed by oxidation to form celecoxib carboxylic acid (Cay-34062), and then conjugation to the beta-glucuronide.Formal Name: beta-D-glucopyranuronic acid, 1-[4-[1-[4-(aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate]. CAS Number: 264236-79-5. Molecular Formula: C23H20F3N3O10S. Formula Weight: 587.5. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: DMSO: soluble, Methanol: slightly soluble. SMILES: NS(C1=CC=C(N2C(C3=CC=C(C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)=O)C=C3)=CC(C(F)(F)F)=N2)C=C1)(=O)=O. InChi Code: InChI=1S/C23H20F3N3O10S/c24-23(25,26)15-9-14(29(28-15)12-5-7-13(8-6-12)40(27,36)37)10-1-3-11(4-2-10)21(35)39-22-18(32)16(30)17(31)19(38-22)20(33)34/h1-9,16-19,22,30-32H,(H,33,34)(H2,27,36,37)/t16-,17-,18+,19-,22-/m0/s1. InChi Key: ZSTBSABHKHAHNU-QUXXCFOZSA-N.