1.0 2016-05-25 18:19:34 UTC 2026-08-20 02:13:00 UTC Flucloxacillin SmallMolecule Flucloxacillin is an organic compound with the formula C19H17ClFN3O5S and an average molecular weight of 453.87 g/mol. Flucloxacillin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. The compound is identified as an inhibitor of the protein target penicillin-binding protein 1A (pbpA). It is found in or released from 14 recorded sources across several categories. Within healthcare, pharmaceuticals, and veterinary products, it is associated with antibiotics and penicillins. It is also linked to food and cookware sources, specifically the processing of meats and fermentation processes for beer. Environmental and consumer sources include drinking water and water supply, as well as household cleaning and consumer products such as bleaching agents, tobacco smoke filters, and non electric simulated smoking devices. Furthermore, it is recorded in electrical and electronic equipment, including antennas, television systems, fixed capacitors and their manufacture, electrically stimulated smoking devices, and electric hearing aids. Recorded exposure routes for the compound include oral and inhalation. floxacillin C19H17ClFN3O5S 453.872 453.056147271 (2S,5R,6R)-6-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid flucloxacillin 5250-39-5 [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(F)C=CC=C1Cl)C(O)=O InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1 UIOFUWFRIANQPC-JKIFEVAISA-N Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolequinones Mitomycins Azacyclic compounds Aziridines Carboximidic acids and derivatives Dialkylamines Enamines Hydrocarbon derivatives Imines Indoles Monoalkylamines Organic oxides Organopnictogen compounds Piperazines Pyrrolidines Pyrrolines Pyrrolizines Quinones Vinylogous amides 1,4-diazinane Aliphatic heteropolycyclic compound Amine Azacycle Aziridine Carbonyl group Carboximidic acid derivative Enamine Hydrocarbon derivative Imine Indole Ketone Mitomycin Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperazine Primary aliphatic amine Primary amine Pyrrolidine Pyrroline Pyrrolizine Quinone Secondary aliphatic amine Secondary amine Vinylogous amide Aliphatic heteropolycyclic compounds Quinones mitomycin Detected and Not Quantified Flucloxacillin Drug Metabolism Action Pathway SMP0142761 logp 2.44 logp 2.69 ALOGPS logs -3.92 ALOGPS solubility 5.45e-02 g/l ALOGPS logp 2.44 ChemAxon pka_strongest_acidic 3.75 ChemAxon pka_strongest_basic -0.93 ChemAxon iupac (2S,5R,6R)-6-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid ChemAxon average_mass 453.872 ChemAxon mono_mass 453.056147271 ChemAxon smiles [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(F)C=CC=C1Cl)C(O)=O ChemAxon formula C19H17ClFN3O5S ChemAxon inchi InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1 ChemAxon inchikey UIOFUWFRIANQPC-JKIFEVAISA-N ChemAxon polar_surface_area 112.74 ChemAxon refractivity 106.85 ChemAxon polarizability 41.69 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7274bbecf0> DB00301 21319 BE0000576