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CHEBI:31599 - fenbufen

ChEBI IDCHEBI:31599
ChEBI Namefenbufen
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC16H14O3
Net Charge0
Average Mass254.285
Monoisotopic Mass254.09429
SMILESO=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
InChIKeyZPAKPRAICRBAOD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
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)
fenbufen (CHEBI:31599) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
fenbufen (CHEBI:31599) is a 4-oxo monocarboxylic acid (CHEBI:35950)
fenbufen (CHEBI:31599) is a biphenyls (CHEBI:22888)
IUPAC Name 
4-[1,1'-biphenyl-4-yl]-4-oxobutanoic acid
Synonyms  Source
FenbufenKEGG DRUG
3-(4-biphenylylcarbonyl)propionic acidChemIDplus
3-(4-phenylbenzoyl)propionic acidChemIDplus
γ-oxo(1,1'-biphenyl)-4-butanoic acidChemIDplus
4-(4-biphenylyl)-4-oxobutyric acidChemIDplus
4-biphenyl-4-yl-4-oxobutanoic acidChEBI
Manual XrefsDatabases
D01344KEGG DRUG
LSM-2258LINCS
1145DrugCentral
Registry NumbersSources
Beilstein:2378560Beilstein
CAS:36330-85-5ChemIDplus