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Celecoxib Carboxylic Acid

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For Research Use Only | Not For Clinical Use
CATAPS170571014A
CAS170571-01-4
Structure
Synonyms4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic Acid, Celecoxib Carboxylic Acid
IUPAC Name4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid
Molecular Weight411.36
Molecular FormulaC17H12F3N3O4S
Canonical SMILESNS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(cc3)C(=O)O)C(F)(F)F
InChIInChI=1S/C17H12F3N3O4S/c18-17(19,20)15-9-14(10-1-3-11(4-2-10)16(24)25)23(22-15)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H,24,25)(H2,21,26,27)
Accurate Mass411.0501
FormatNeat
ShippingRoom Temperature
Size10MG
Storage Conditions-20°C Freezer
SubcategoryEnzyme inhibitors
TypeMetabolite
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