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

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ChEBI Name	[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid

ChEBI ID	CHEBI:59660

Definition	A sulindac-based non-steroidal anti-inflammatory drug.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Margaret Duesbury

Supplier Information

Download	Molfile XML SDF

Formula

C22H21FO2

Net Charge

Average Mass

336.39930

Monoisotopic Mass

336.15256

InChI

InChI=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-

InChIKey

QCXBVGNDRYQVJO-GRSHGNNSSA-N

SMILES

CC(C)c1ccc(cc1)\C=C1\C(C)=C(CC(O)=O)c2cc(F)ccc12

Roles Classification
Application(s):	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	[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-80003	ChEBI

Citation	Type	Source
20541701	PubMed citation	Europe PMC

Last Modified

25 June 2010