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CHEBI:59660 - [5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid

ChEBI IDCHEBI:59660
ChEBI Name[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid
Stars
DefinitionA sulindac-based non-steroidal anti-inflammatory drug.
Last Modified25 June 2010
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC22H21FO2
Net Charge0
Average Mass336.406
Monoisotopic Mass336.15256
SMILESCC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C22H21FO2/c1-13(2)16-6-4-15(5-7-16)10-19-14(3)20(12-22(24)25)21-11-17(23)8-9-18(19)21/h4-11,13H,12H2,1-3H3,(H,24,25)/b19-10-
InChIKeyQCXBVGNDRYQVJO-GRSHGNNSSA-N
Roles Classification
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)
[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid (CHEBI:59660) has functional parent acetic acid (CHEBI:15366)
[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid (CHEBI:59660) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid (CHEBI:59660) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
[(1Z)-5-fluoro-1-(4-isopropylbenzylidene)-2-methyl-1H-inden-3-yl]acetic acid
Synonym  Source
K-80003ChEBI
Citations