1.0 2016-05-20 16:10:14 UTC 2026-08-20 02:51:48 UTC Phenylbutazone SmallMolecule Phenylbutazone is an organic compound with the formula C19H20N2O2 and an average molecular weight of 308.37 g/mol. Phenylbutazone belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. The compound is found in or released from 44 recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is used in topical products for joint and muscular pain as well as antiinflammatory and antirheumatic products. In food, food processing, and cookware, it is associated with food preservation, fermentation processes for beer, the preparation of wine or sparkling wine, and the processing of meats. Other sources include drinking water and water supply, building and construction materials such as floors, ceilings, fencing, and ladders, and various household cleaning and consumer products including soap detergents, perfumes within detergents and soaps, soap dispensers, cigar cigarettes, and non electric simulated smoking devices. Additionally, it is recorded in electrical and electronic equipment, including amplifiers, antennas, coils, auxiliary devices, and adjustable resistors, among 22 other items. The recorded exposure route for phenylbutazone is oral. In terms of biological activity, the compound has three recorded protein targets. It acts as an inhibitor of Prostaglandin G/H synthase 1 (PTGS1), Prostaglandin G/H synthase 2 (PTGS2), and Prostacyclin synthase (PTGIS). Human Neurotoxin 4-butyl-1,2-diphenylpyrazolidine-3,5-dione C19H20N2O2 308.3743 308.152477894 4-butyl-1,2-diphenylpyrazolidine-3,5-dione 'esteve' 50-33-9 CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1 InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3 VYMDGNCVAMGZFE-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzene and substituted derivatives 1,3-dicarbonyl compounds Azacyclic compounds Carboxylic acid hydrazides Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Pyrazolidinones 1,3-dicarbonyl compound Aromatic heteromonocyclic compound Azacycle Carbonyl group Carboxylic acid derivative Carboxylic acid hydrazide Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrazolidine Pyrazolidinone Aromatic heteromonocyclic compounds pyrazolidines Detected and Not Quantified Phenylbutazone Action Pathway SMP0000701 Phenylbutazone Action Pathway (New) SMP0126545 Phenylbutazone Drug Metabolism SMP0130927 Phenylbutazone Drug Metabolism Action Pathway SMP0143251 logp 4.14 logp 2.81 ALOGPS logs -3.33 ALOGPS solubility 1.44e-01 g/l ALOGPS logp 4.14 ChemAxon pka_strongest_acidic 5.13 ChemAxon iupac 4-butyl-1,2-diphenylpyrazolidine-3,5-dione ChemAxon average_mass 308.3743 ChemAxon mono_mass 308.152477894 ChemAxon smiles CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1 ChemAxon formula C19H20N2O2 ChemAxon inchi InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3 ChemAxon inchikey VYMDGNCVAMGZFE-UHFFFAOYSA-N ChemAxon polar_surface_area 40.62 ChemAxon refractivity 88.76 ChemAxon polarizability 34.15 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72276d7db0> DB00812 4781 4617 BE0000262 BE0000117 BE0000017