Valdecoxib

CAS Registry Number®

181695-72-7
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CAS Name

Valdecoxib

Molecular Formula

C16H14N2O3S

Molecular Mass

314.36

Cite this Page

Valdecoxib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=181695-72-7 (retrieved 2024-05-20) (CAS RN: 181695-72-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172-173 °C

Source(s)

Other Names and Identifiers

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)

InChIKey

InChIKey=LNPDTQAFDNKSHK-UHFFFAOYSA-N

SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(S(N)(=O)=O)C=C3

Canonical SMILES

O=S(=O)(N)C1=CC=C(C=C1)C=2C(=NOC2C)C=3C=CC=CC3

Other Names for this Substance

  • Benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)-
  • 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
  • SC 65872
  • Valdecoxib
  • 4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide

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