Chemical Entities of Biological Interest Ontology

Last uploaded: January 1, 2025
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Id http://purl.obolibrary.org/obo/CHEBI_6339
http://purl.obolibrary.org/obo/CHEBI_6339
Preferred Name

etoricoxib
Definitions
A 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.
Synonyms
5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl
etoricoxibum
5-chloro-6'-methyl-3-(p-(methylsulfonyl)phenyl)-2,3'-bipyridine
etoricoxib
L791456
5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridine
Etoricoxib
5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine
ETORICOXIB
Type http://www.w3.org/2002/07/owl#Class

All Properties

definition

A 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.
label
etoricoxib
prefLabel
etoricoxib
database_cross_reference
CAS:202409-33-4
LINCS:LSM-5650
Wikipedia:Etoricoxib
PMID:11327589
PMID:14761182
Drug_Central:1113
KEGG:D03710
DrugBank:DB01628
PMID:15454242
PMID:15916445
KEGG:C11718
PMID:15239665
PDBeChem:5CH
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notation
CHEBI:6339
in_subset
inchi
InChI=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
has_related_synonym
5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl
etoricoxibum
5-chloro-6'-methyl-3-(p-(methylsulfonyl)phenyl)-2,3'-bipyridine
etoricoxib
L791456
5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridine
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id
CHEBI:6339
charge
0
has_obo_namespace
chebi_ontology
formula
C18H15ClN2O2S
subClassOf
inchikey
MNJVRJDLRVPLFE-UHFFFAOYSA-N
mass
358.84200
monoisotopicmass
358.05428
has_alternative_id
CHEBI:106706
type
smiles
Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
has role
has_exact_synonym
Etoricoxib
5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine
ETORICOXIB
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