
API0231610
Celecoxib
Celecoxib is an NSAID.
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CAS No.
169590-42-5
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Synonyms
celecoxib; 169590-42-5; Celebra
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CHEMBL ID
CHEMBL118
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Indications
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Molecule Type
Small molecule
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Compound CID
2662
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Molecular Weight (g/mol)
381.4
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Molecular Formula
C17H14F3N3O2S
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InChI
InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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InChIKey
RZEKVGVHFLEQIL-UHFFFAOYSA-N
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SMILES
CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
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IUPAC Name
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
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Exact Mass (Da)
381.07588236
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Monoisotopic Mass (Da)
381.07588236
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