1.0 2014-09-11 05:13:44 UTC 2026-08-19 04:20:10 UTC T3D4729 Diclofenac SmallMolecule Diclofenac belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This exogenous compound has the formula C14H11Cl2NO2 and an average molecular weight of 296.15 g/mol. At room temperature, it exists as a solid. It functions as a drug (PMC8125292, PMC9888349), anti-inflammatory drug (PMC10390773), analgesic (PMC11124379, PMC12531790, PMC13074443, PMC5371579), and antioxidant (PMC9022185). Its recorded protein targets include Prostaglandin G/H synthase 1 (PTGS1), Prostaglandin G/H synthase 2 (PTGS2), Polyunsaturated fatty acid 5-lipoxygenase (ALOX5), Sodium channel protein type 4 subunit alpha (SCN4A), and four other proteins. Diclofenac is used for the treatment of pain (PMC10297473, PMC11859530, PMC12085248, PMC12841708, PMC7033978, PMC7470770, PMC8204944, PMC8956874, PMC9022185), inflammation (PMC10297473, PMC12085248, PMC12344651, PMC12841708, PMC13074443, PMC7033978, PMC8204944, PMC8956874, PMC9888349), fever (PMC13074443, PMC7470770, PMC8956874), arthritis (PMC7033978), gout (PMC7033978), rheumatoid arthritis (PMC10698095, PMC9899055), and osteoarthritis (PMC10698095). It has therapeutic effects on inflammation (PMC6539241), pain (PMC12684957), and neuropathic pain (PMC7609673), though it is associated with renal failure (PMC13089115) and stroke (PMC9392978). The compound is found in 38 recorded sources, including healthcare, pharmaceuticals, and veterinary products such as antiinflammatory agents and dermatological preparations; aquatic systems and sediments like seawater, groundwater, and freshwater; wastewater, sanitation, and biosolids; drinking water and water supply; household cleaning and consumer products; and electrical and electronic equipment. Recorded exposure routes include oral, intravenous, rectal, sublingual, transdermal, topical, cutaneous, inhalation, touch, and ophthalmic. Drug Synthetic Toxin Organic Compound Organochloride Amine Drug Anti-Inflammatory Agent, Non-Steroidal Cyclooxygenase Inhibitor Synthetic Compound PMT 2-((2,6-Dichlorophenyl)amino)benzeneacetic acid Aclonac Allvoran CAMBIA Cataflam Diclofenac acid Diclofenaco Diclofenacum Dyloject Ecofenac Effekton Flector ISV-205 Nu-Diclo Pennsaid Primofenac Prophenatin Rhumalgan Solaraze Voltaren Voltaren Emulgel Voltarol Zipsor Zorvolex [2-(2,6-Dichloroanilino)phenyl]acetic acid C14H11Cl2NO2 296.149 295.016684015 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid diclofenac 15307-86-5 OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) DCOPUUMXTXDBNB-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Halobenzenes Dichlorobenzenes Amino acids Aniline and substituted anilines Aryl chlorides Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and 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 Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary amine Aromatic homomonocyclic compounds amino acid aromatic amine dichlorobenzene monocarboxylic acid secondary amino compound Detected and Not Quantified Exogenous Membrane Diclofenac Action Pathway SMP0000093 Diclofenac NSAID Action Pathway SMP0124633 Diclofenac Drug Metabolism Action Pathway SMP0143035 Diclofenac Predicted Metabolism Pathway SMP0174687 Solid White powder. melting_point 283-285°C solubility 2.37 mg/L (at 25°C) logp 4.51 logp 4.98 ALOGPS logs -4.82 ALOGPS solubility 4.47e-03 g/l ALOGPS logp 4.26 ChemAxon pka_strongest_acidic 4 ChemAxon pka_strongest_basic -2.1 ChemAxon iupac 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid ChemAxon average_mass 296.149 ChemAxon mono_mass 295.016684015 ChemAxon smiles OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl ChemAxon formula C14H11Cl2NO2 ChemAxon inchi InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) ChemAxon inchikey DCOPUUMXTXDBNB-UHFFFAOYSA-N ChemAxon polar_surface_area 49.33 ChemAxon refractivity 75.46 ChemAxon polarizability 27.93 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Completely absorbed from the gastrointestinal tract. The antiinflammatory effects of diclofenac are believed to be due to inhibition of both leukocyte migration and the enzyme cylooxygenase (COX-1 and COX-2), leading to the peripheral inhibition of prostaglandin synthesis. As prostaglandins sensitize pain receptors, inhibition of their synthesis is responsible for the analgesic effects of diclofenac. Antipyretic effects may be due to action on the hypothalamus, resulting in peripheral dilation, increased cutaneous blood flow, and subsequent heat dissipation. LD₅₀=390mg/kg (orally in mice) Hepatic. Route of Elimination: Diclofenac is eliminated through metabolism and subsequent urinary and biliary excretion of the glucuronide and the sulfate conjugates of the metabolites. Little or no free unchanged diclofenac is excreted in the urine. Approximately 65% of the dose is excreted in the urine and approximately 35% in the bile as conjugates of unchanged diclofenac plus metabolites. Half Life: 2 hours LD₅₀=390mg/kg (orally in mice) No indication of carcinogenicity to humans (not listed by IARC). For the acute and chronic treatment of signs and symptoms of osteoarthritis and rheumatoid arthritis. #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7279778d58> Symptoms of overdose include loss of consciousness, increased intracranial pressure, and aspiration pneumonitis. DB00586 3033 CHEMBL139 2925 C01690 4507 Diclofenac 16740558 16645966 11496855 16968830 11992745 20470236 Sigma Aldrich: http://www.sigmaaldrich.com/catalog/search/ProductDetail/SIGMA/D6899 BE0000017 BE0000262 BE0000248 BE0001640 BE0002083 BE0000897 BE0002398 BE0000353