1.0 2016-05-22 05:11:41 UTC 2026-08-19 14:16:40 UTC Aceclofenac SmallMolecule Aceclofenac is an organic compound with the chemical formula C16H13Cl2NO4 and an average molecular weight of 354.18 g/mol. Aceclofenac belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids. The compound acts as an inhibitor of two protein targets: Prostaglandin G/H synthase 1 (PTGS1) and Prostaglandin G/H synthase 2 (PTGS2). Regarding its recorded sources, aceclofenac is found in or released from healthcare, pharmaceuticals, and veterinary products, specifically topical products for joint and muscular pain as well as antiinflammatory and antirheumatic products. Other recorded sources include drinking water and water supply, electrical and electronic equipment such as line transmission systems, and household cleaning and consumer products, including pipe accessories, tobacco pipes, and non electric simulated smoking devices. The recorded exposure route for this compound is oral. C16H13Cl2NO4 354.18 353.0221633 2-[(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)oxy]acetic acid aceclofenac 89796-99-6 OC(=O)COC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21) MNIPYSSQXLZQLJ-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Halobenzenes Dichlorobenzenes Amino acids Aniline and substituted anilines Aryl chlorides Carbonyl compounds Carboxylic acid esters Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Secondary amines 1,3-dichlorobenzene Amine Amino acid Amino acid or derivatives Aniline or substituted anilines Aromatic homomonocyclic compound Aryl chloride Aryl halide Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary amine Aromatic homomonocyclic compounds amino acid carboxylic ester dichlorobenzene monocarboxylic acid secondary amino compound Detected and Not Quantified Aceclofenac Action Pathway SMP0124997 Aceclofenac Drug Metabolism Action Pathway SMP0144097 logp 3.88 logp 4.88 ALOGPS logs -5.25 ALOGPS solubility 1.99e-03 g/l ALOGPS logp 3.88 ChemAxon pka_strongest_acidic 3.44 ChemAxon pka_strongest_basic -2.1 ChemAxon iupac 2-[(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)oxy]acetic acid ChemAxon average_mass 354.18 ChemAxon mono_mass 353.0221633 ChemAxon smiles OC(=O)COC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl ChemAxon formula C16H13Cl2NO4 ChemAxon inchi InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21) ChemAxon inchikey MNIPYSSQXLZQLJ-UHFFFAOYSA-N ChemAxon polar_surface_area 75.63 ChemAxon refractivity 86.32 ChemAxon polarizability 32.76 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:0x00007f3bf035bd70> DB06736 71771 64809 BE0000262 BE0000017