1.0 2016-06-03 10:08:56 UTC 2026-05-14 19:35:58 UTC Cefpirome SmallMolecule Cefpirome belongs to the beta lactams, a subclass of lactams within the organic compounds. With an average molecular weight of 514.58 g/mol, Cefpirome is a heavy molecule. Its chemical formula is C22H22N6O5S2 and it is categorized as an organoheterocyclic compound. Cefpirome is utilized as an antibiotic within healthcare, pharmaceuticals, and veterinary products. It has been identified in twelve recorded sources, including building and construction materials such as floors, roofs, fencing, stairs and ramps, and tents or canopies. It is also found in electrical and electronic equipment, specifically in magnets, coils, amplifiers, line transmission systems, and auxiliary devices. Recorded exposure routes for the compound include oral and inhalation. At the molecular level, Cefpirome acts on seven recorded protein targets. It functions as an inhibitor of Penicillin-binding protein 1A (mrcA), Penicillin-binding protein 1B (mrcB), Peptidoglycan D,D-transpeptidase MrdA (mrdA), and D-alanyl-D-alanine carboxypeptidase DacC (dacC), in addition to three other proteins. C22H22N6O5S2 514.58 514.10931018 1-[(2-carboxy-7-{[1-hydroxy-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-(methoxyimino)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-5H,6H,7H-cyclopenta[b]pyridin-1-ium 1-[(2-carboxy-7-{[1-hydroxy-2-(2-imino-3H-1,3-thiazol-4-yl)-2-(methoxyimino)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-5H,6H,7H-cyclopenta[b]pyridin-1-ium 84957-29-9 CON=C(C(O)=NC1C2SCC(C[N+]3=CC=CC4=C3CCC4)=C(N2C1=O)C([O-])=O)C1=CSC(=N)N1 InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32) DKOQGJHPHLTOJR-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Lactams Beta lactams Cephalosporins 1,3-thiazines 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Amino acids Azacyclic compounds Azetidines Carbonyl compounds Carboxylic acid salts Carboxylic acids Dialkylthioethers Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids and derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Primary amines Pyridinium derivatives Secondary carboxylic acid amides Tertiary carboxylic acid amides Thiohemiaminal derivatives 1,3-thiazol-2-amine 2,4-disubstituted 1,3-thiazole Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Azetidine Azole Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Carboxylic acid salt Cephalosporin Dialkylthioether Hemithioaminal Heteroaromatic compound Hydrocarbon derivative Meta-thiazine Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Pyridine Pyridinium Secondary carboxylic acid amide Tertiary carboxylic acid amide Thiazole Thioether Aromatic heteropolycyclic compounds Detected and Not Quantified Cefpirome Drug Metabolism Action Pathway SMP0144999 logp -4 logp -0.81 ALOGPS logs -4.05 ALOGPS solubility 5.09e-02 g/l ALOGPS logp -2.6 ChemAxon pka_strongest_acidic 3.12 ChemAxon pka_strongest_basic 0.72 ChemAxon iupac 1-[(2-carboxy-7-{[1-hydroxy-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-(methoxyimino)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-5H,6H,7H-cyclopenta[b]pyridin-1-ium ChemAxon average_mass 514.58 ChemAxon mono_mass 514.10931018 ChemAxon smiles CON=C(C(O)=NC1C2SCC(C[N+]3=CC=CC4=C3CCC4)=C(N2C1=O)C([O-])=O)C1=CSC(=N)N1 ChemAxon formula C22H22N6O5S2 ChemAxon inchi InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32) ChemAxon inchikey DKOQGJHPHLTOJR-UHFFFAOYSA-N ChemAxon polar_surface_area 154.38 ChemAxon refractivity 154.61 ChemAxon polarizability 51.59 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 9 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726763c820> DB13682 5479539 4586396 BE0000588 BE0000488 BE0003685 BE0003579 BE0002393 BE0002063 BE0000744