1.0 2016-05-22 03:31:03 UTC 2026-08-25 05:18:23 UTC Tegafur SmallMolecule Tegafur is an organic compound with the chemical formula C8H9FN2O3 and an average molecular weight of 200.17 g/mol. Tegafur belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. In terms of its biological activity, the compound is a recorded inhibitor of the protein target thymidylate synthase (TYMS). The compound is utilized within healthcare, pharmaceuticals, and veterinary products as an antineoplastic agent, with oral exposure being the recorded route. Tegafur is found in or released from 31 recorded sources across several categories. Within electrical and electronic equipment, it is associated with antennas, amplifiers, communication cables or conductors, adjustable resistors, and conductors or conductive bodies characterised by the conductive materials, among 12 others. In the category of household cleaning and consumer products, it is found in soap detergents, bleaching agents, perfumes within detergents and soaps, pipe accessories, and tobacco pipes, as well as one additional source. Regarding food, food processing, and cookware, the compound is linked to food preservation, the processing of meats, fermentation processes for beer, and the preparation of wine or sparkling wine. Additionally, it is found in building and construction materials, specifically in tents or canopies, fencing, and ceilings. Human Neurotoxin 5-fluoro-1-(oxolan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione C8H9FN2O3 200.169 200.059720321 5-fluoro-1-(oxolan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione tegafur 37076-68-9 FC1=CN(C2CCCO2)C(=O)NC1=O InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13) WFWLQNSHRPWKFK-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Halopyrimidines Aryl fluorides Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Organic oxides Organofluorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Pyrimidones Tetrahydrofurans Ureas Vinylogous amides Aromatic heteromonocyclic compound Aryl fluoride Aryl halide Azacycle Halopyrimidine Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyrimidone Tetrahydrofuran Urea Vinylogous amide Aromatic heteromonocyclic compounds organohalogen compound pyrimidines Detected and Not Quantified logp 0.024 logp -0.09 ALOGPS logs -1.16 ALOGPS solubility 1.40e+01 g/l ALOGPS logp 0.024 ChemAxon pka_strongest_acidic 8.08 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 5-fluoro-1-(oxolan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione ChemAxon average_mass 200.169 ChemAxon mono_mass 200.059720321 ChemAxon smiles FC1=CN(C2CCCO2)C(=O)NC1=O ChemAxon formula C8H9FN2O3 ChemAxon inchi InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13) ChemAxon inchikey WFWLQNSHRPWKFK-UHFFFAOYSA-N ChemAxon polar_surface_area 58.64 ChemAxon refractivity 44.5 ChemAxon polarizability 17.42 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7221f20478> DB09256 5386 5193 BE0000324