1.0 2016-05-25 18:26:44 UTC 2026-08-19 23:58:51 UTC Cefamandole SmallMolecule Cefamandole is an organic compound with the chemical formula C18H18N6O5S2 and an average molecular weight of 462.50 g/mol. Cefamandole belongs to the beta lactams, a subclass of lactams within the organic compounds. It is further classified as an organoheterocyclic compound. In terms of biological activity, cefamandole acts as an inhibitor of the protein target penicillin-binding protein 2 (pbpA). The compound is associated with six recorded sources. These include antibiotics within healthcare, pharmaceuticals, and veterinary products, as well as processing meats in food, food processing, and cookware. Additionally, it is found in television systems and video games under electrical and electronic equipment, non-electric simulated smoking devices in household cleaning and consumer products, and credit card holders among household items. Recorded routes of exposure for this substance include oral and inhalation. C18H18N6O5S2 462.503 462.078009096 (6R,7R)-7-[(2R)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid cefamandole 34444-01-4 [H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1 OLVCFLKTBJRLHI-AXAPSJFSSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Peptides 1,3-thiazines 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Alpha amino acid amides Azacyclic compounds Azetidines Carbonyl compounds Carboxylic acids Cephalosporins Dialkylthioethers Dicarboximides Dioxopiperazines Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl ureas N-acyl-alpha amino acids and derivatives N-alkylpiperazines N-carbamoyl-alpha amino acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Phenylacetamides Piperazine carboxamides Secondary carboxylic acid amides Sulfenyl compounds Tertiary carboxylic acid amides Tetrazoles Thiohemiaminal derivatives 1,4-diazinane 1-hydroxy-2-unsubstituted benzenoid Alkylarylthioether Alpha peptide Alpha-amino acid amide Alpha-amino acid or derivatives Aromatic heteropolycyclic compound Aryl thioether Azacycle Azetidine Azole Benzenoid Beta-lactam Carbonic acid derivative Carbonyl group Carboxamide group Carboxylic acid Cephalosporin Cephem Dialkylthioether Dicarboximide Dioxopiperazine Hemithioaminal Heteroaromatic compound Hydrocarbon derivative Lactam Meta-thiazine Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl urea N-acyl-alpha amino acid or derivatives N-alkylpiperazine N-carbamoyl-alpha-amino acid or derivatives N-substituted-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Phenol Phenylacetamide Piperazine Piperazine-1-carboxamide Secondary carboxylic acid amide Sulfenyl compound Tertiary carboxylic acid amide Tetrazole Thioether Urea Ureide Aromatic heteropolycyclic compounds Detected and Not Quantified Cefamandole Drug Metabolism Action Pathway SMP0143706 logp 0.027 logp -0.05 ALOGPS logs -2.90 ALOGPS solubility 5.81e-01 g/l ALOGPS logp 0.027 ChemAxon pka_strongest_acidic 3.32 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac (6R,7R)-7-[(2R)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ChemAxon average_mass 462.503 ChemAxon mono_mass 462.078009096 ChemAxon smiles [H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O ChemAxon formula C18H18N6O5S2 ChemAxon inchi InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1 ChemAxon inchikey OLVCFLKTBJRLHI-AXAPSJFSSA-N ChemAxon polar_surface_area 150.54 ChemAxon refractivity 126.65 ChemAxon polarizability 42.45 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72272f6fe8> DB01326 456255 401748 BE0003688