1.0 2016-05-22 03:38:30 UTC 2026-08-19 05:26:48 UTC Cefazolin SmallMolecule Cefazolin is an organic compound with the chemical formula C14H14N8O4S3 and an average molecular weight of 454.51 g/mol. Cefazolin 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: antennas within electrical and electronic equipment, drinking water and water supply, and healthcare, pharmaceuticals and veterinary products, specifically antibiotics and beta-lactam antibacterials. Recorded exposure routes for this substance include intramuscular, intravenous, oral, parenteral, and inhalation. In terms of biological activity, there are eight recorded protein targets for cefazolin. It acts as an inhibitor of serum paraoxonase/arylesterase 1 (PON1), as well as penicillin-binding protein 1A (mrcA), penicillin-binding protein 1B (mrcB), peptidoglycan D,D-transpeptidase MrdA (mrdA), and four other proteins. Human Neurotoxin C14H14N8O4S3 454.507 454.030013046 (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[2-(1H-1,2,3,4-tetrazol-1-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid cefazolin 25953-19-9 [H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)CN1C=NN=N1)C(O)=O InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1 MLYYVTUWGNIJIB-BXKDBHETSA-N Organic compounds Organoheterocyclic compounds Lactams Beta lactams Cephalosporins 1,3-thiazines Alkylarylthioethers Azacyclic compounds Azetidines Carbonyl compounds Carboxylic acids Dialkylthioethers Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Sulfenyl compounds Tertiary carboxylic acid amides Tetrazoles Thiadiazoles Thiohemiaminal derivatives Alkylarylthioether Alpha-amino acid or derivatives Aromatic heteropolycyclic compound Aryl thioether Azacycle Azetidine Azole Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative 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 Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Secondary carboxylic acid amide Sulfenyl compound Tertiary carboxylic acid amide Tetrazole Thiadiazole Thioether Aromatic heteropolycyclic compounds Cephems cephalosporin Detected and Not Quantified Cefazolin Drug Metabolism SMP0130827 Cefazolin Drug Metabolism Action Pathway SMP0143707 logp -1.5 logp -0.40 ALOGPS logs -2.97 ALOGPS solubility 4.87e-01 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 3.03 ChemAxon pka_strongest_basic 0.26 ChemAxon iupac (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[2-(1H-1,2,3,4-tetrazol-1-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ChemAxon average_mass 454.507 ChemAxon mono_mass 454.030013046 ChemAxon smiles [H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)CN1C=NN=N1)C(O)=O ChemAxon formula C14H14N8O4S3 ChemAxon inchi InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1 ChemAxon inchikey MLYYVTUWGNIJIB-BXKDBHETSA-N ChemAxon polar_surface_area 156.09 ChemAxon refractivity 119.86 ChemAxon polarizability 41.44 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 9 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bbfdb6378> DB01327 2618 2519 BE0000930 BE0000588 BE0000488 BE0003579 BE0003723 BE0002393 BE0003486 BE0001029