Valdecoxib Impurity B

Datasheet MSDS
Catalog Number
RP0065
Product Name
Valdecoxib Impurity B
Structure
Valdecoxib Impurity B
CAS Number
1373038-60-8
IUPAC Name
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylbenzenesulfonamide
Synonyms
Valdecoxib Dimer; N-[4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonyl]-4-(5-methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
Molecular Formula
C32H25N3O6S2
Molecular Weight
611.7
Description
Valdecoxib Impurity B is a dimeric impurity of Valdecoxib.
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NS(=O)(=O)C4=CC=C(C=C4)C5=C(ON=C5C6=CC=CC=C6)C
InChI
InChI=1S/C32H25N3O6S2/c1-21-29(31(33-40-21)25-9-5-3-6-10-25)23-13-17-27(18-14-23)42(36,37)35-43(38,39)28-19-15-24(16-20-28)30-22(2)41-34-32(30)26-11-7-4-8-12-26/h3-20,35H,1-2H3
InChI Key
FDUYPVXQEAKTGG-UHFFFAOYSA-N
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