Rofecoxib

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Systematic / IUPAC Name: 3-(4-Methylsulfonylphenyl)-4-phenyl-2H-furan-5-one

ID: Reference2277

Other Names: Vioxx;
Ceoxx;
4-[4-(Methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one;
4-(4-Methylsulfonylphenyl)-3-phenyl-5H-furan-2-one;
4-[4-(Methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone ; more

Formula: C17H14O4S

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Rofecoxib mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/16/2015 3:05:51 PM
View Mass Spec Data > >

Identificators

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
InChI Key RZJQGNCSTQAWON-UHFFFAOYSA-N
Canonical SMILES CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3
CAS 162011907
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Other Names Vioxx;
Ceoxx;
4-[4-(Methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one;
4-(4-Methylsulfonylphenyl)-3-phenyl-5H-furan-2-one;
4-[4-(Methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone;
4-[p-(Methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone;
2(5H)-Furanone, 4-[4-(methylsulfonyl)phenyl]-3-phenyl-;
3-Phenyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone;
4-[4-(Methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one;
Refecoxib;
2(5H)-Furanone, 4-[4-(methylsulfonyl)phenyl]-3-phenyl-;
4-(4-Methanesulfonylphenyl)-3-phenyl-2,5-dihydrofuran-2-one

In Other Databases

ChEMBL CHEMBL122
KEGG C07590; D00568
Wikipedia Rofecoxib
PubChem 5090
ChEBI CHEBI:8887
DrugBank DB00533
ChemIDPlus 162011907
ChemSpider 4911