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CHEBI:5010 - fenoprofen calcium (anhydrous)

ChEBI IDCHEBI:5010
ChEBI Namefenoprofen calcium (anhydrous)
Stars
DefinitionThe anhydrous form of the calcium salt of fenprofen. The dihydrate form is used as a non-steroidal anti-inflammatory drug for the management of mild to moderate pain and for the relief of pain and inflammation associated with disorders such as arthritis.
Last Modified19 November 2010
DownloadsMolfile
Formula2C15H13O3.Ca
Net Charge0
Average Mass522.610
Monoisotopic Mass522.13553
SMILESCC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.[Ca+2]
InChIInChI=1S/2C15H14O3.Ca/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;/h2*2-11H,1H3,(H,16,17);/q;;+2/p-2
InChIKeyVHUXSAWXWSTUOD-UHFFFAOYSA-L
Roles Classification
Biological Roles:
cyclooxygenase 2 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
cyclooxygenase 1 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1.
ChEBI Ontology
Outgoing Relation(s)
fenoprofen calcium (anhydrous) (CHEBI:5010) has part fenoprofen(1−) (CHEBI:60566)
fenoprofen calcium (anhydrous) (CHEBI:5010) has role cyclooxygenase 1 inhibitor (CHEBI:50630)
fenoprofen calcium (anhydrous) (CHEBI:5010) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
fenoprofen calcium (anhydrous) (CHEBI:5010) is a calcium salt (CHEBI:35156)
Incoming Relation(s)
fenoprofen calcium (CHEBI:5005) has part fenoprofen calcium (anhydrous) (CHEBI:5010)
IUPAC Name 
calcium bis[2-(3-phenoxyphenyl)propanoate]
Synonyms  Source
Fenprofen calciumKEGG COMPOUND
fenoprofen calcium anhydrousChemIDplus
anhydrous fenoprofen calciumChEBI
calcium 2-(3-phenoxyphenyl)propionateChEBI
calcium α-(m-phenoxyphenyl)propionateChEBI
calcium α-methyl-3-phenoxybenzeneacetateChEBI
Manual XrefsDatabases
C02539KEGG COMPOUND
Registry NumbersSources
Reaxys:6029012Reaxys
CAS:34597-40-5ChemIDplus