Product Information
Name:Celecoxib Carboxylic Acid Acyl-β-D-glucuronide
Controlled Product
Synonyms:
- 1-[4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid
Brand:TRC
Description:Stability HygroscopicApplications Celecoxib Carboxylic Acid Acyl-β-D-glucuronide is a glucuronide metabolite of Celecoxib (C251000), a Cox-2 inhibitor.References Penning, T., et al.: J. Med. Chem., 40, 1347 (1997), Barta, T., et al.: Bioorg. Med. Chem. Lett., 8, 3443 (1998), Paulson, S., et al.: Drug Metab. Dispos., 28, 514 (2000),
Notice:Our products are intended for lab use only. For any other use, please contact us.
Chemical properties
Molecular weight:587.48
Formula:C23H20F3N3O10S
Purity:>80%
Color/Form:Neat
InChI: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:InChIKey=ZSTBSABHKHAHNU-QUXXCFOZSA-N
SMILES:NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1
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