
API0233320
Valdecoxib
Valdecoxib is a COX-2 inhibitor NSAID.
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CAS No.
181695-72-7
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Synonyms
Valdecoxib; 181695-72-7; Bextra
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CHEMBL ID
CHEMBL865
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Indications
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Molecule Type
Small molecule
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Compound CID
119607
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Molecular Weight (g/mol)
314.4
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Molecular Formula
C16H14N2O3S
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InChI
InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
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InChIKey
LNPDTQAFDNKSHK-UHFFFAOYSA-N
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SMILES
CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N
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IUPAC Name
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
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Exact Mass (Da)
314.07251349
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Monoisotopic Mass (Da)
314.07251349
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