1.0 2016-05-22 03:38:34 UTC 2026-08-19 19:36:16 UTC Cefotetan SmallMolecule Cefotetan belongs to the beta lactams, a subclass of lactams within the organic compounds. With an average molecular weight of 575.62 g/mol, Cefotetan is a heavy molecule. Its chemical formula is C17H17N7O8S4 and it is categorized as an organoheterocyclic compound. In terms of biological activity, Cefotetan acts as an inhibitor of serine-type D-Ala-D-Ala carboxypeptidase (pbp3). The compound is found in or released from nine recorded sources. These include healthcare, pharmaceuticals and veterinary products, specifically antibiotics and beta-lactam antibacterials. It is also associated with food, food processing and cookware, specifically processing meats. Other recorded sources include household cleaning and consumer products, such as cigar cigarettes, non electric simulated smoking devices and other smoking requisites, as well as electrical and electronic equipment, including electric switches, electrically stimulated smoking devices and emergency protective devices. Recorded exposure routes for Cefotetan include oral, intravenous, intramuscular and inhalation. C17H17N7O8S4 575.619 575.002143315 (6R,7S)-7-{4-[carbamoyl(carboxy)methylidene]-1,3-dithietane-2-amido}-7-methoxy-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 cefotetan 69712-56-7 [H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC)C(O)=O InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6-/t13?,15-,17+/m1/s1 SRZNHPXWXCNNDU-IXOPCIAXSA-N Organic compounds Organoheterocyclic compounds Lactams Beta lactams Cephamycins 1,3-thiazines Alkylarylthioethers Azacyclic compounds Azetidines Carbonyl compounds Carboxylic acids Dialkylthioethers Dicarboxylic acids and derivatives Dithietanes Heteroaromatic compounds Hydrocarbon derivatives Ketene acetals N-acyl-alpha amino acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary carboxylic acid amides Secondary carboxylic acid amides Sulfenyl compounds Tertiary carboxylic acid amides Tetrazoles Thiohemiaminal derivatives Vinylogous thioesters Alkylarylthioether Alpha-amino acid or derivatives Aromatic heteropolycyclic compound Aryl thioether Azacycle Azetidine Azole Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Cephamycin Dialkylthioether Dicarboxylic acid or derivatives Dithietane Hemithioaminal Heteroaromatic compound Hydrocarbon derivative Ketene acetal or derivatives Meta-thiazine N-acyl-alpha amino acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary carboxylic acid amide Secondary carboxylic acid amide Sulfenyl compound Tertiary carboxylic acid amide Tetrazole Thioether Vinylogous thioester Aromatic heteropolycyclic compounds cephalosporin Detected and Not Quantified Cefotetan Drug Metabolism Action Pathway SMP0143710 logp -0.38 logp -0.65 ALOGPS logs -3.04 ALOGPS solubility 5.21e-01 g/l ALOGPS logp -0.38 ChemAxon pka_strongest_acidic 3.23 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (6R,7S)-7-{4-[carbamoyl(carboxy)methylidene]-1,3-dithietane-2-amido}-7-methoxy-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 575.619 ChemAxon mono_mass 575.002143315 ChemAxon smiles [H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC)C(O)=O ChemAxon formula C17H17N7O8S4 ChemAxon inchi InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6-/t13?,15-,17+/m1/s1 ChemAxon inchikey SRZNHPXWXCNNDU-IXOPCIAXSA-N ChemAxon polar_surface_area 219.93 ChemAxon refractivity 153.55 ChemAxon polarizability 51.81 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 11 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226c2a8e0> DB01330 53025 21167997 BE0004643