1.0 2016-05-22 03:27:02 UTC 2026-08-19 20:56:49 UTC Etodolac SmallMolecule Etodolac is an organic compound with the formula C17H21NO3 and an average molecular weight of 287.35 g/mol. Etodolac belongs to the indolyl carboxylic acids and derivatives, a subclass of indoles and derivatives within the organic compounds. It is categorized under the superclass of organoheterocyclic compounds. The compound is utilized in healthcare, pharmaceuticals, and veterinary products as an antiinflammatory and antirheumatic product. Its biological activity involves three recorded protein targets, where it acts as an inhibitor or other modulator of Prostaglandin G/H synthase 1 (PTGS1), Prostaglandin G/H synthase 2 (PTGS2), and Retinoic acid receptor RXR-alpha (RXRA). Etodolac has been identified in or released from 26 recorded sources. Within the category of electrical and electronic equipment, it is found in amplifiers, antennas, discharge lamps, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials. In household cleaning and consumer products, it appears in bleaching agents, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, and perfumes within detergents and soaps, among three others. Related to food, food processing, and cookware, it is associated with food preservation, the preparation of malt, the preparation of vinegar, and fermentation processes for beer. Additionally, it is present in indoor air. Recorded exposure routes for the compound include oral and inhalation. C17H21NO3 287.3535 287.152143543 2-{1,8-diethyl-1H,3H,4H,9H-pyrano[3,4-b]indol-1-yl}acetic acid etodolac 41340-25-4 CCC1=C2NC3=C(CCOC3(CC)CC(O)=O)C2=CC=C1 InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20) NNYBQONXHNTVIJ-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Indolyl carboxylic acids and derivatives 3-alkylindoles Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Dialkyl ethers Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pyrroles 3-alkylindole Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Ether Heteroaromatic compound Hydrocarbon derivative Indole Indolyl carboxylic acid derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyrrole Aromatic heteropolycyclic compounds monocarboxylic acid organic heterotricyclic compound Detected and Not Quantified Etodolac Action Pathway SMP0000084 Etodolac Action Pathway (New) SMP0124626 Etodolac Drug Metabolism Action Pathway SMP0143192 Etodolac Predicted Metabolism Pathway SMP0174630 logp 3.44 logp 3.39 ALOGPS logs -3.87 ALOGPS solubility 3.92e-02 g/l ALOGPS logp 3.44 ChemAxon pka_strongest_acidic 4.73 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-{1,8-diethyl-1H,3H,4H,9H-pyrano[3,4-b]indol-1-yl}acetic acid ChemAxon average_mass 287.3535 ChemAxon mono_mass 287.152143543 ChemAxon smiles CCC1=C2NC3=C(CCOC3(CC)CC(O)=O)C2=CC=C1 ChemAxon formula C17H21NO3 ChemAxon inchi InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20) ChemAxon inchikey NNYBQONXHNTVIJ-UHFFFAOYSA-N ChemAxon polar_surface_area 62.32 ChemAxon refractivity 81.16 ChemAxon polarizability 31.94 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7267965830> DB00749 3308 3192 BE0000017 BE0000262 BE0000412