CAS Number
Molecular Formula
C23H20F3N3O10S
Product format
Neat
Molecular Weight
587.49
Storage
-20°C
Shipping
Room Temperature
API Family
Synonyms
264236-79-5; Celecoxib metabolite M1; U914CMX58G; beta-D-Glucopyranuronic acid, 1-(4-(1-(4-(aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoate); .BETA.-D-GLUCOPYRANURONIC ACID, 1-(4-(1-(4-(AMINOSULFONYL)PHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL)BENZOATE); RefChem:199820; UNII-U914CMX58G; Celecoxib glucuronide; Celecoxib Carboxylic Acid Acyl-|A-D-glucuronide; (2S, 3S, 4S, 5R, 6S)-3, 4, 5-trihydroxy-6-[4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzoyl]oxyoxane-2-carboxylic acid; 1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] beta-D-Glucopyranuronic Alphacid; CELECOXIB CARBOXYLIC ACID ACYL-BETA-D-GLUCURONIDE; (2S, 3S, 4S, 5R, 6S)-3, 4 and 5-Trihydroxy-6-((4-(1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid; Celecoxib Carboxylic Acid Acyl-Beta-D-glucuronide (>80%); 1-[4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate] ss-D-Glucopyranuronic ?cid;; Celecoxib acyl glucuronide; orb1693043; C23H20F3N3O10S; DTXSID10439488; CHEBI:229841
Iupac Name
(2S, 3S, 4S, 5R, 6S)-3, 4 and 5-trihydroxy-6-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoyl]oxyoxane-2-carboxylic acid
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
