loading...| Preferred Name |
celecoxib |
|
| Synonyms |
Celecoxib 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide celecoxib p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide Celebrex celecoxibum |
|
| Definitions |
A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and p-tolyl groups, respectively. A cyclooxygenase-2 inhibitor, it is used in the treatment of arthritis. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_41423 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:184007-95-2 PMID:27756840 PMID:22141388 PMID:28166217 PMID:21348927 Reaxys:8280770 LINCS:LSM-2032 HMDB:HMDB0005014 PMID:23296687 PMID:19955429 PMID:20709553 DrugBank:DB00482 Drug_Central:568 PMID:19137124 FooDB:FDB023586 KEGG:C07589 PMID:22419293 PMID:22971036 CAS:169590-42-5 PMID:18405470 Chemspider:2562 PMID:16580269 PMID:14736236 PMID:21955617 KEGG:D00567 PMID:23506230 PDBeChem:CEL PMID:19203891 Wikipedia:Celecoxib PMID:17983259 |
|
| definition |
A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and p-tolyl groups, respectively. A cyclooxygenase-2 inhibitor, it is used in the treatment of arthritis. |
|
| formula |
C17H14F3N3O2S |
|
| has exact synonym |
Celecoxib 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_176497 http://purl.obolibrary.org/obo/CHEBI_50629 |
|
| has_alternative_id |
CHEBI:41418 CHEBI:3520 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
celecoxib p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide Celebrex celecoxibum |
|
| id |
CHEBI:41423 |
|
| in_subset | ||
| inchi |
InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) |
|
| inchikey |
RZEKVGVHFLEQIL-UHFFFAOYSA-N |
|
| label |
celecoxib |
|
| mass |
381.370 |
|
| monoisotopicmass |
381.07588 |
|
| notation |
CHEBI:41423 |
|
| prefLabel |
celecoxib |
|
| smiles |
CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_27024 http://purl.obolibrary.org/obo/CHEBI_35358 |