Compound ID | 1335

Update compound information

Celecoxib

Class: COX-2 inhibitor

Spectrum of activity: Gram-positive
Institute where first reported: Pfizer; Upjohn
Year first mentioned: 1999
Highest developmental phase: Approved by FDA in 1998
Development status: Approved
Chemical structure(s):
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Molecular weight: 381.37
Iso. SMILES: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
InChI Key: RZEKVGVHFLEQIL-UHFFFAOYSA-N
Can. SMILES: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
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)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/2662
Citations:
  • https://academic.oup.com/jac/article-abstract/74/12/3462/5581809?redirectedFrom=fulltext

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