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Celecoxib

CAS Registry Number®

169590-42-5

CAS Name

Celecoxib

Molecular Formula

C17H14F3N3O2S

Molecular Mass

381.37

Cite this Page

Celecoxib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=169590-42-5 (retrieved 2024-11-23) (CAS RN: 169590-42-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    157-159 °C

  • Density (2)

    1.35 g/cm³ (solid)

Source(s)

Other Names and Identifiers

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)

InChIKey

InChIKey=RZEKVGVHFLEQIL-UHFFFAOYSA-N

SMILES

C(F)(F)(F)C1=NN(C(=C1)C2=CC=C(C)C=C2)C3=CC=C(S(N)(=O)=O)C=C3

Canonical SMILES

O=S(=O)(N)C1=CC=C(C=C1)N2N=C(C=C2C=3C=CC(=CC3)C)C(F)(F)F

Other Names for this Substance

  • Benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-
  • 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
  • Celecoxib
  • SC 58635
  • YM 177

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Deleted or Replaced CAS Registry Numbers

184007-95-2, 194044-54-7

CAS INSIGHTSTM
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