Description:
An impurity of Valdecoxib. Valdecoxib is a non-steroidal anti-inflammatory drug (NSAID) used for the treatment of osteoarthritis, rheumatoid arthritis, etc. Valdecoxib exhibits a selectively inhibitory effect of cyclooxygenase-2.
Molecular Formula:
C16H15N3O5S2
Canonical SMILES:
CC1=C(C(=NO1)C2=CC(=CC=C2)S(=O)(=O)N)C3=CC=C(C=C3)S(=O)(=O)N
InChI:
InChI=1S/C16H15N3O5S2/c1-10-15(11-5-7-13(8-6-11)25(17,20)21)16(19-24-10)12-3-2-4-14(9-12)26(18,22)23/h2-9H,1H3,(H2,17,20,21)(H2,18,22,23)
InChIKey:
ZTJZYTUGYRMBJV-UHFFFAOYSA-N
Synonyms:
3-(5-methyl-4-(4-sulfamoylphenyl)isoxazol-3-yl)benzenesulfonamide; AKOS030530317; ZINC200584589; BC600176; 3-(3-Aminosulfonylphenyl)-4-(4-aminosulfonylphenyl)-5-methylisoxazole Más detalles se encuentran
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