ximoprofen (CHEBI:48521)

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ChEBI Name	ximoprofen

ChEBI ID	CHEBI:48521

Definition	A monocarboxylic acid that is 2-phenylpropionic acid in which the phenyl group is substituted at the para position by a 3-(hydroxyimino)cyclohexyl group.

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

Supplier Information

Download	Molfile XML SDF

Formula

C15H19NO3

Net Charge

Average Mass

261.31630

Monoisotopic Mass

261.13649

InChI

InChI=1S/C15H19NO3/c1-10(15(17)18)11-5-7-12(8-6-11)13-3-2-4-14(9-13)16-19/h5-8,10,13,19H,2-4,9H2,1H3,(H,17,18)

InChIKey

IQPPOXSMSDPZKU-UHFFFAOYSA-N

SMILES

CC(C(O)=O)c1ccc(cc1)C1CCCC(C1)=NO

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

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	ximoprofen (CHEBI:48521) has functional parent hydratropic acid (CHEBI:48526) ximoprofen (CHEBI:48521) has role non-steroidal anti-inflammatory drug (CHEBI:35475) ximoprofen (CHEBI:48521) is a ketoxime (CHEBI:24983) ximoprofen (CHEBI:48521) is a monocarboxylic acid (CHEBI:25384)

IUPAC Name

2-{4-[3-(hydroxyimino)cyclohexyl]phenyl}propanoic acid

Synonyms	Sources
2-(4-(3-Hydroxyiminocyclohexyl)phenyl)propionsäure	ChemIDplus
4-(3-(hydroxyimino)cyclohexyl)-α-methylbenzeneacetic acid	ChemIDplus
4-(3-Hydroxyiminocyclohexyl)hydratropasäure	ChemIDplus
p-(3-oxocyclohexyl)hydratropic acid oxime	ChemIDplus

Last Modified

16 July 2016