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CHEBI:73032 - deracoxib

Default Structure
ChEBI IDCHEBI:73032
ChEBI Namederacoxib
Stars
DefinitionA member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3, and 5 by 4-sulfamoylphenyl, difluoromethyl and 3-fluoro-4-methoxyphenyl groups, respectively. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine for the control of pain and inflammation associated with osteoarthritis in dogs.
Last Modified25 February 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H14F3N3O3S
Net Charge0
Average Mass397.378
Monoisotopic Mass397.07080
SMILESCOc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C17H14F3N3O3S/c1-26-16-7-2-10(8-13(16)18)15-9-14(17(19)20)22-23(15)11-3-5-12(6-4-11)27(21,24)25/h2-9,17H,1H3,(H2,21,24,25)
InChIKeyWAZQAZKAZLXFMK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
cyclooxygenase 2 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
non-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
Applications:
non-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
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)
deracoxib (CHEBI:73032) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
deracoxib (CHEBI:73032) has role non-narcotic analgesic (CHEBI:35481)
deracoxib (CHEBI:73032) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
deracoxib (CHEBI:73032) is a organofluorine compound (CHEBI:37143)
deracoxib (CHEBI:73032) is a pyrazoles (CHEBI:26410)
deracoxib (CHEBI:73032) is a sulfonamide (CHEBI:35358)
IUPAC Name 
4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide
INNs  Source
deracoxibWHO MedNet
deracoxibWHO MedNet
déracoxibWHO MedNet
deracoxibumWHO MedNet
Synonyms  Source
SC 046ChemIDplus
SC 46ChemIDplus
SC 59046ChemIDplus
SC-59046ChemIDplus
Brand Name  Source
DeramaxxChemIDplus
Manual XrefsDatabases
2971VSDB
D03689KEGG DRUG
DeracoxibWikipedia
LSM-3536LINCS
Registry NumbersSources
Reaxys:7727810Reaxys
CAS:169590-41-4KEGG DRUG
CAS:169590-41-4ChemIDplus