<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-26 21:56:33 UTC</creation_date>
  <update_date>2026-05-20 19:24:28 UTC</update_date>
  <accession/>
  <common_name>7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid</common_name>
  <class>SmallMolecule</class>
  <description>7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C8H10N2O3S1 and an average molecular weight of 214.24 g/mol. It is associated with one recorded source: healthcare, pharmaceuticals &amp; veterinary products, specifically antibiotics. Recorded routes of exposure for this substance include oral and inhalation.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>'26395-99-3</synonym>
    <synonym>(6R-trans)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid</synonym>
    <synonym>1H-imidazole, 2-ethyl-5-methyl-</synonym>
    <synonym>22252-43-3</synonym>
    <synonym>244-870-1</synonym>
    <synonym>26395-99-3</synonym>
    <synonym>5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-</synonym>
    <synonym>5273616</synonym>
    <synonym>7 ADCA</synonym>
    <synonym>7-ADCA</synonym>
    <synonym>7-Amino-3-methyl-3-cephem-4-carboxylic acid</synonym>
    <synonym>7-amino-3-methyl-6-oxo-2H,7H,7aH-azetidino[2,1-b]1,3-thiazine-4-carboxylic acid</synonym>
    <synonym>7-Amino-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid</synonym>
    <synonym>7-Amino-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylicacid</synonym>
    <synonym>7-AMINO-3-METHYL-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID</synonym>
    <synonym>7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid</synonym>
    <synonym>7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid</synonym>
    <synonym>7-Aminodesacetoxycephalosporanic acid</synonym>
    <synonym>7-Aminodezacetoxycephalosporanic acid</synonym>
    <synonym>7-azaniumyl-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate</synonym>
    <synonym>Bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-5-thia-1-aza-</synonym>
    <synonym>Cefalexine EP IMpurity B</synonym>
    <synonym>MFCD09750368</synonym>
  </synonyms>
  <chemical_formula>C8H10N2O3S1</chemical_formula>
  <average_molecular_weight>214.24</average_molecular_weight>
  <monisotopic_moleculate_weight>214.041213</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>26395-99-3</cas_registry_number>
  <smiles>CC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(O)=O</smiles>
  <inchi>InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)</inchi>
  <inchikey>NVIAYEIXYQCDAN-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>214.24</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>214.041213</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C8H10N2O3S1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>NVIAYEIXYQCDAN-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf3301728&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>3419180</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>1812</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
