Substance

ID:1826492

Names and Identifiers
IUPAC Traditional name
rofecoxib
IUPAC name
4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofuran-2-one
Synonyms
rofecoxib3-phenyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanoneCeoxxRofecoxibVioxx
International Nonproprietary Name (INN)
rofecoxibrofecoxibum
Registration numbers
CAS Number
162011-90-7
PubChem CID
5090
KEGG ID
C07590
LINCS Database
LSM-2482
Reaxys Registry
8269007
ACToR Database
162011-90-7
BKMS React Database
871169449
BRENDA Ligand Database
694498711
CHEMBL
CHEMBL122
CompTox Database
DTXSID2023567
MetaboLights Database
MTBLS1642
Protein Data Bank
5kir
SABIO-RK Database
1747
SureChEMBL Database
SCHEMBL3050
Beilstein Number
8269007
Wikipedia Title
Rofecoxib
Patent number
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
DrugBank ID
DB00533
Drug Central Database
2,397
BindingDB Database
22369
KEGG DRUG Database
D00568
CHEBI ID
CHEBI:8887
PubChem SID
8146414
Properties
No Data Available
Click here to submit data
Molecule Details
A butenolide that is furan-2(5H)-one substituted by a phenyl group at position 3 and by a p-(methylsulfonyl)phenyl group at position 4. A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke.
Molecular Spectra
No Data Available
Click here to submit data
References
No Data Available
Click here to submit data
Navigation