1.0 2016-05-22 04:13:50 UTC 2026-08-20 02:48:34 UTC Bezafibrate SmallMolecule Bezafibrate is an organic compound with the formula C19H20ClNO4 and an average molecular weight of 361.82 g/mol. Bezafibrate belongs to the phenoxyacetic acid derivatives, a subclass of benzene and substituted derivatives within the organic compounds. Biologically, the compound acts as an endocrine disruptor (PMC10000190). It interacts with seven recorded protein targets, functioning as an agonist or partial agonist of Peroxisome proliferator-activated receptor alpha (PPARA), Peroxisome proliferator-activated receptor delta (PPARD), Peroxisome proliferator-activated receptor gamma (PPARG), and Nuclear receptor subfamily 1 group I member 2 (NR1I2), in addition to three other proteins. The compound is found in or released from six recorded sources. These include healthcare, pharmaceuticals, and veterinary products as lipid modifying agents; drinking water and water supply; and food, food processing, and cookware specifically in the preparation of vinegar. It is also associated with household cleaning and consumer products such as non-electric simulated smoking devices, as well as electrical and electronic equipment including electric hearing aids and electrically stimulated smoking devices. The recorded exposure route for bezafibrate is oral. Human Neurotoxin 2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-2-methylpropanoic acid bezafribrate C19H20ClNO4 361.819 361.10808584 2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-2-methylpropanoic acid bezafibrate 41859-67-0 CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O 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) IIBYAHWJQTYFKB-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Phenoxyacetic acid derivatives Phenoxyacetic acid derivatives 4-halobenzoic acids and derivatives Alkyl aryl ethers Aryl chlorides Benzamides Benzoyl derivatives Carbonyl compounds Carboxylic acids Chlorobenzenes Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Phenol ethers Phenoxy compounds Secondary carboxylic acid amides 4-halobenzoic acid or derivatives Alkyl aryl ether Aromatic homomonocyclic compound Aryl chloride Aryl halide Benzamide Benzoic acid or derivatives Benzoyl Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Chlorobenzene Ether Halobenzene Halobenzoic acid or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Phenoxyacetate Secondary carboxylic acid amide Aromatic homomonocyclic compounds aromatic ether monocarboxylic acid monocarboxylic acid amide monochlorobenzenes Detected and Not Quantified Bezafibrate Action Pathway (New) SMP0125291 Bezafibrate Drug Metabolism Action Pathway SMP0143740 logp 3.99 logp 3.97 ALOGPS logs -5.37 ALOGPS solubility 1.55e-03 g/l ALOGPS logp 3.99 ChemAxon pka_strongest_acidic 3.83 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-2-methylpropanoic acid ChemAxon average_mass 361.819 ChemAxon mono_mass 361.10808584 ChemAxon smiles CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O ChemAxon formula C19H20ClNO4 ChemAxon 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) ChemAxon inchikey IIBYAHWJQTYFKB-UHFFFAOYSA-N ChemAxon polar_surface_area 75.63 ChemAxon refractivity 95.96 ChemAxon polarizability 37.53 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726cb512c0> DB01393 39042 35728 BE0000071 BE0001007 BE0000215 BE0000956 BE0000412 BE0000078 BE0000707