bezafibrate (CHEBI:47612)

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ChEBI Name	bezafibrate

ChEBI ID	CHEBI:47612

Definition	A monocarboxylic acid amide obtained by the formal condensation of the carboxy group of 4-chlorobenzoic acid with the amino group of 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoic acid. Benafibrate is used for the treatment of hyperlipidaemia.

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

Secondary ChEBI IDs	CHEBI:47611, CHEBI:31284

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Formula

C19H20ClNO4

Net Charge

Average Mass

361.820

Monoisotopic Mass

361.10809

InChI

InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)

InChIKey

IIBYAHWJQTYFKB-UHFFFAOYSA-N

SMILES

CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

Application(s):	geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. antilipemic drug A substance used to treat hyperlipidemia (an excess of lipids in the blood).

ChEBI Ontology
Outgoing	bezafibrate (CHEBI:47612) has functional parent propionic acid (CHEBI:30768) bezafibrate (CHEBI:47612) has role antilipemic drug (CHEBI:35679) bezafibrate (CHEBI:47612) has role environmental contaminant (CHEBI:78298) bezafibrate (CHEBI:47612) has role geroprotector (CHEBI:176497) bezafibrate (CHEBI:47612) has role xenobiotic (CHEBI:35703) bezafibrate (CHEBI:47612) is a aromatic ether (CHEBI:35618) bezafibrate (CHEBI:47612) is a monocarboxylic acid (CHEBI:25384) bezafibrate (CHEBI:47612) is a monocarboxylic acid amide (CHEBI:29347) bezafibrate (CHEBI:47612) is a monochlorobenzenes (CHEBI:83403)

IUPAC Name

2-{4-[2-(4-chlorobenzamido)ethyl]phenoxy}-2-methylpropanoic acid

Synonyms	Sources
2-(p-(2-(p-Chlorobenzamido)ethyl)phenoxy)-2-methylpropionic acid	ChemIDplus
Bezatol SR (TN)	KEGG DRUG
Cedur	ChEBI

Last Modified

21 September 2021

General Comments
2014-05-07	Bezafibrate can be found in blood and urine samples of individuals who have taken this drug.
2014-10-29	Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag