loading...| Preferred Name |
etoricoxib |
|
| Synonyms |
Etoricoxib 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine ETORICOXIB 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 |
|
| 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 |
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 |
|
| 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 | ||
| 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 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 |
|
| id |
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 |
|
| 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_35850 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35850 |