1.0 2016-05-25 18:20:30 UTC 2026-08-19 15:19:45 UTC Loracarbef SmallMolecule Loracarbef is an organic compound with the chemical formula C16H16ClN3O4 and an average molecular weight of 349.77 g/mol. Loracarbef belongs to the beta lactams, a subclass of lactams within the organic compounds. It is further categorized under the superclass of organoheterocyclic compounds. The compound is found in or released from four recorded sources, which include healthcare, pharmaceuticals & veterinary products as beta-lactam antibacterials, electrical & electronic equipment such as video games and emergency protective devices, and household cleaning & consumer products specifically other smoking requisites. The recorded route of exposure for this substance is oral. In terms of biological activity, loracarbef has two recorded protein targets: it acts as an inhibitor of penicillin-binding protein 1A (pbpA) and serine-type D-Ala-D-Ala carboxypeptidase (pbp3). loracabef, loracabef, loracabef, loracabef C16H16ClN3O4 349.769 349.082933722 (6R,7S)-7-[(2R)-2-amino-2-phenylacetamido]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid loracabef 76470-66-1 N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)C1=CC=CC=C1 InChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/t10-,11-,12+/m1/s1 JAPHQRWPEGVNBT-UTUOFQBUSA-N Organic compounds Organoheterocyclic compounds Lactams Beta lactams Carbacephems Alpha amino acid amides Amino acids Aralkylamines Azacyclic compounds Azetidines Carbonyl compounds Carboxylic acids Chloroalkenes Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids and derivatives Organic oxides Organochlorides Organopnictogen compounds Phenylacetamides Secondary carboxylic acid amides Tertiary carboxylic acid amides Tetrahydropyridines Vinyl chlorides Vinylogous halides Alpha-amino acid amide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteropolycyclic compound Azacycle Azetidine Benzenoid Carbacephem Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Chloroalkene Haloalkene Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylacetamide Primary aliphatic amine Primary amine Secondary carboxylic acid amide Tertiary carboxylic acid amide Tetrahydropyridine Vinyl chloride Vinyl halide Vinylogous halide Aromatic heteropolycyclic compounds carbacephem zwitterion Detected and Not Quantified Loracarbef Drug Metabolism Action Pathway SMP0142904 logp -2.4 logp 0.55 ALOGPS logs -3.03 ALOGPS solubility 3.25e-01 g/l ALOGPS logp -2.4 ChemAxon pka_strongest_acidic 3.13 ChemAxon pka_strongest_basic 7.44 ChemAxon iupac (6R,7S)-7-[(2R)-2-amino-2-phenylacetamido]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ChemAxon average_mass 349.769 ChemAxon mono_mass 349.082933722 ChemAxon smiles N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)C1=CC=CC=C1 ChemAxon formula C16H16ClN3O4 ChemAxon inchi InChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/t10-,11-,12+/m1/s1 ChemAxon inchikey JAPHQRWPEGVNBT-UTUOFQBUSA-N ChemAxon polar_surface_area 112.73 ChemAxon refractivity 86.64 ChemAxon polarizability 32.61 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baf651e08> DB00447 5284585 4447635 BE0000576 BE0004643