Preferred Name

etoricoxib

Synonyms

5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl

5-chloro-6'-methyl-3-(p-(methylsulfonyl)phenyl)-2,3'-bipyridine

ETORICOXIB

etoricoxib

5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine

5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridine

L791456

etoricoxibum

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.

ID

http://purl.obolibrary.org/obo/CHEBI_6339

charge

0

database_cross_reference

KEGG:D03710

PMID:14761182

KEGG:C11718

PMID:11327589

CAS:202409-33-4

PMID:15239665

Drug_Central:1113

DrugBank:DB01628

PMID:15454242

PDBeChem:5CH

LINCS:LSM-5650

PMID:15916445

Wikipedia:Etoricoxib

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.

formula

C18H15ClN2O2S

has role

http://purl.obolibrary.org/obo/CHEBI_35475

http://purl.obolibrary.org/obo/CHEBI_50629

has_alternative_id

CHEBI:106706

has_exact_synonym

ETORICOXIB

5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine

Etoricoxib

has_obo_namespace

chebi_ontology

has_related_synonym

5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl

5-chloro-6'-methyl-3-(p-(methylsulfonyl)phenyl)-2,3'-bipyridine

etoricoxib

5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridine

L791456

etoricoxibum

id

CHEBI:6339

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

inchikey

MNJVRJDLRVPLFE-UHFFFAOYSA-N

label

etoricoxib

mass

358.84200

monoisotopicmass

358.05428

notation

CHEBI:6339

prefLabel

etoricoxib

smiles

Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O

treeView

http://purl.obolibrary.org/obo/CHEBI_36683

http://purl.obolibrary.org/obo/CHEBI_35850

http://purl.obolibrary.org/obo/CHEBI_50511

subClassOf

http://purl.obolibrary.org/obo/CHEBI_36683

http://purl.obolibrary.org/obo/CHEBI_35850

http://purl.obolibrary.org/obo/CHEBI_50511

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Delete Mapping To Ontology Source
http://purl.bioontology.org/ontology/SNOMEDCT/409134009 SNOMEDCT LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0972314 OCHV LOOM
http://purl.bioontology.org/ontology/UATC/M01AH05 ATC LOOM
http://purl.bioontology.org/ontology/MESH/D000077613 MESH LOOM
http://www.drugbank.ca/drugs/DB01628 FTC LOOM
http://purl.obolibrary.org/obo/CHEBI_6339 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_6339 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_6339 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_6339 DINTO SAME_URI
http://purl.bioontology.org/ontology/PDQ/CDR0000462092 PDQ LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#53645 OCHV LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C52188 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C52188 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C52188 NCIT LOOM
http://purl.obolibrary.org/obo/DRON_00018671 DRON LOOM
http://purl.obolibrary.org/obo/DRON_00018671 DRON LOOM
http://purl.obolibrary.org/obo/DRON_00018671 DRON LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C422649 RH-MESH LOOM
http://purl.bioontology.org/ontology/NDDF/009633 NDDF LOOM
http://purl.bioontology.org/ontology/RXNORM/307296 RXNORM LOOM