more general categories    
information about this item 
 
 
03. Biological Effects of Specific Chemicals    
 
 
 
 
 
 
03. Biological Effects of Specific Chemicals  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
05. Industrial Uses    
 
 
 
 
 
 
05. Industrial Uses  
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
08. Chemical Category    
 
 
 
 
 
 
08. Chemical Category  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  valdecoxib [CHEBI:63634]   (1)  
 
 
 
 
ChEBI Compound Accession Identifier :  
 [CHEBI:63634] 
 
ChEBI Compound Description :  
 A member of the class of isoxazoles that is isoxazole which is substituted at positions 3, 4 and 5 by phenyl, p-sulfamoylphenyl and methyl groups, respectively. A selective cyclooxygenase 2-inhibitor, it used as a nonsteroidal anti-inflammatory drug (NSAID) for the treatment of arthritis from 2001 until 2005, when it was withdrawn following concerns of an associated increased risk of heart attack and stroke. 
 
ChEBI Compound Identification Number :  
 63634 
 
ChEBI InChI Value :  
 InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) 
 
ChEBI InChIKey Value :  
 LNPDTQAFDNKSHK-UHFFFAOYSA-N 
 
ChEBI Compound Name :  
 valdecoxib 
 
ChEBI SMILES Value :  
 Cc1onc(-c2ccccc2)c1-c1ccc(cc1)S(N)(=O)=O 
 
ChEBI Substance ID :  
 135611113 
 
ChEBI URL :  
 ChEBI:63634  
 
ChemSpider ID :  
 106796 
 
Ontomatica Chemical Accession Key (OnChAKey) :  
 LNPDTQAFDNKSHK_UHFFFAOYSA_N_000_000000 
 
PubChem Compound ID :  
 119607