1.0 2016-05-25 18:20:42 UTC 2026-08-20 02:12:33 UTC Dicloxacillin SmallMolecule Dicloxacillin is an organic compound with the chemical formula C19H17Cl2N3O5S and an average molecular weight of 470.33 g/mol. Dicloxacillin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound is found in or released from four recorded sources, including drinking water and water supply (drinking water), electrical and electronic equipment (antennas), and healthcare, pharmaceuticals and veterinary products specifically within the categories of penicillins and antibiotics. Recorded exposure routes for the substance include oral and inhalation. In terms of biological activity, there are five recorded protein targets for dicloxacillin. It acts as an inhibitor of Penicillin-binding protein 1b (pbp1b), Penicillin-binding protein 2a (pbp2a), Penicillin-binding protein 1A (pbpA), and serine-type D-Ala-D-Ala carboxypeptidase (pbp3), as well as one other protein. C19H17Cl2N3O5S 470.326 469.026596773 (2S,5R,6R)-6-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid dicloxacillin 3116-76-5 [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(Cl)C=CC=C1Cl)C(O)=O InChI=1S/C19H17Cl2N3O5S/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 YFAGHNZHGGCZAX-JKIFEVAISA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N-acyl-alpha amino acids and derivatives Aryl chlorides Azacyclic compounds Azetidines Carbonyl compounds Carboximidic acids Carboxylic acids Dialkylthioethers Dichlorobenzenes Heteroaromatic compounds Hydrocarbon derivatives Isoxazoles Monocarboxylic acids and derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Penams Propargyl-type 1,3-dipolar organic compounds Tertiary carboxylic acid amides Thiazolidines Thiohemiaminal derivatives 1,3-dichlorobenzene Aromatic heteropolycyclic compound Aryl chloride Aryl halide Azacycle Azetidine Azole Benzenoid Beta-lactam Carbonyl group Carboxamide group Carboximidic acid Carboximidic acid derivative Carboxylic acid Chlorobenzene Dialkylthioether Halobenzene Hemithioaminal Heteroaromatic compound Hydrocarbon derivative Isoxazole Lactam Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Penam Propargyl-type 1,3-dipolar organic compound Tertiary carboxylic acid amide Thiazolidine Thioether Aromatic heteropolycyclic compounds dichlorobenzene penicillin Detected and Not Quantified Dicloxacillin Drug Metabolism Action Pathway SMP0142939 Dicloxacillin Predicted Metabolism Pathway SMP0174524 logp 2.91 logp 3.19 ALOGPS logs -4.20 ALOGPS solubility 2.96e-02 g/l ALOGPS logp 2.91 ChemAxon pka_strongest_acidic 3.75 ChemAxon pka_strongest_basic -0.71 ChemAxon iupac (2S,5R,6R)-6-[3-(2,6-dichlorophenyl)-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 470.326 ChemAxon mono_mass 469.026596773 ChemAxon smiles [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(Cl)C=CC=C1Cl)C(O)=O ChemAxon formula C19H17Cl2N3O5S ChemAxon inchi InChI=1S/C19H17Cl2N3O5S/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 YFAGHNZHGGCZAX-JKIFEVAISA-N ChemAxon polar_surface_area 112.74 ChemAxon refractivity 111.44 ChemAxon polarizability 42.86 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:0x00007f3bd0ea8680> DB00485 3041 2933 BE0004335 BE0004644 BE0004643 BE0004290 BE0003624