Rofecoxib

CAS Registry Number®

162011-90-7
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CAS Name

Rofecoxib

Molecular Formula

C17H14O4S

Molecular Mass

314.36

Cite this Page

Rofecoxib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=162011-90-7 (retrieved 2024-02-26) (CAS RN: 162011-90-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3

InChIKey

InChIKey=RZJQGNCSTQAWON-UHFFFAOYSA-N

SMILES

O=C1C(=C(CO1)C2=CC=C(S(C)(=O)=O)C=C2)C3=CC=CC=C3

Canonical SMILES

O=C1OCC(C=2C=CC(=CC2)S(=O)(=O)C)=C1C=3C=CC=CC3

Other Names for this Substance

  • 2(5H)-Furanone, 4-[4-(methylsulfonyl)phenyl]-3-phenyl-
  • 4-[4-(Methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone
  • 3-Phenyl-4-[4-(Methylsulfonyl)phenyl]-2(5H)-furanone
  • MK 0966
  • Rofecoxib

Deleted or Replaced CAS Registry Numbers

186912-82-3, 2484980-39-2

CAS INSIGHTSTM
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