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CHEBI:6339 - etoricoxib

ChEBI IDCHEBI:6339
ChEBI Nameetoricoxib
Stars
DefinitionA member of the class of bipyridines that is 2,3'-bipyridine which is substituted at the 3, 5, and 6' positions by 4-(methylsulfonyl)phenyl, chlorine, and methyl groups, respectively.
Secondary ChEBI IDCHEBI:106706
Last Modified22 February 2017
DownloadsMolfile
FormulaC18H15ClN2O2S
Net Charge0
Average Mass358.850
Monoisotopic Mass358.05428
SMILESCc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
InChIKeyMNJVRJDLRVPLFE-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
cyclooxygenase 2 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
Application:
non-steroidal anti-inflammatory drug  An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
ChEBI Ontology
Outgoing Relation(s)
etoricoxib (CHEBI:6339) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
etoricoxib (CHEBI:6339) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
etoricoxib (CHEBI:6339) is a bipyridines (CHEBI:50511)
etoricoxib (CHEBI:6339) is a organochlorine compound (CHEBI:36683)
etoricoxib (CHEBI:6339) is a sulfone (CHEBI:35850)
IUPAC Name 
5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine
INNs  Source
etoricoxibWHO MedNet
etoricoxibChemIDplus
étoricoxibWHO MedNet
etoricoxibumWHO MedNet
Synonyms  Source
5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridineChEMBL
5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinylChEMBL
5-chloro-6'-methyl-3-(p-(methylsulfonyl)phenyl)-2,3'-bipyridineChemIDplus
EtoricoxibKEGG COMPOUND
ETORICOXIBChEMBL
L791456KEGG COMPOUND
Manual XrefsDatabases
1113DrugCentral
5CHPDBeChem
C11718KEGG COMPOUND
D03710KEGG DRUG
DB01628DrugBank
EtoricoxibWikipedia
LSM-5650LINCS
Registry NumbersSources
CAS:202409-33-4ChemIDplus
CAS:202409-33-4KEGG COMPOUND
Citations