<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-26 18:32:52 UTC</creation_date>
  <update_date>2026-05-20 19:23:40 UTC</update_date>
  <accession/>
  <common_name>7-[2-Amino(phenyl)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid</common_name>
  <class>SmallMolecule</class>
  <description>7-[2-Amino(phenyl)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid belongs to the beta lactams, a subclass of lactams within the organic compounds. This organoheterocyclic compound has the formula C16H17N3O4S1 and an average molecular weight of 347.39 g/mol. It is found in or released from one recorded source: healthcare, pharmaceuticals &amp; veterinary products, specifically antibiotics. Recorded exposure routes for this substance include oral and inhalation.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(6R,7R)-7-[(R)-2-Amino-2-phenylacetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]-oct-2-ene-2-carboxylic acid monohydrate</synonym>
    <synonym>(6R,7R)-7-[[(2R)-2-Amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid</synonym>
    <synonym>5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(2-amino-2-phenylacetamido)-3-methyl-8-oxo-, D-</synonym>
    <synonym>5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-</synonym>
    <synonym>5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(aminophenylacetyl)amino]-3-methyl-8-oxo-</synonym>
    <synonym>5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(aminophenylacetyl)amino]-3-methyl-8-oxo-, monohydrate [6R-[6.alpha.,7.beta.(R*)]]-</synonym>
    <synonym>7-(2-Amino-2-phenyl-acetylamino)-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid</synonym>
    <synonym>7-(2-amino-2-phenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid</synonym>
    <synonym>7-(A-AMINO-DL-PHENYLACETAMIDO)-3-DEACETOXYCEPHALOSPORANIC ACID</synonym>
    <synonym>7-(D-.alpha.-Amino-.alpha.-phenylacetamido)-3-methyl-3-cephem-4-carboxylic acid monohydrate</synonym>
    <synonym>7-([Amino(phenyl)acetyl]amino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid</synonym>
    <synonym>7-[(2-azaniumyl-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate</synonym>
    <synonym>7-[(Aminophenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid</synonym>
    <synonym>7-[2-Amino(phenyl)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid</synonym>
    <synonym>7-{[Amino(phenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid</synonym>
    <synonym>7-{[ammonio(phenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate</synonym>
    <synonym>C-(2-Carboxy-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-7-ylcarbamoyl)-C-phenyl-methyl-ammonium</synonym>
    <synonym>Cefalexin</synonym>
    <synonym>Cefalexin (Redirect to Structure with Stereochemistry)</synonym>
    <synonym>Cefalexine</synonym>
    <synonym>Cephalexin</synonym>
    <synonym>Cephalexin anhydrous</synonym>
    <synonym>Cephalexine</synonym>
    <synonym>Keforal</synonym>
    <synonym>[6R-[6.alpha.,7.beta.(R*)]]-7-[(Aminophenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid</synonym>
  </synonyms>
  <chemical_formula>C16H17N3O4S1</chemical_formula>
  <average_molecular_weight>347.39</average_molecular_weight>
  <monisotopic_moleculate_weight>347.093977</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>108260-04-4</cas_registry_number>
  <smiles>CC1=C(N2C(SC1)C(NC(=O)C(N)C1=CC=CC=C1)C2=O)C(O)=O</smiles>
  <inchi>InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)</inchi>
  <inchikey>ZAIPMKNFIOOWCQ-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>347.39</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>347.093977</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1=C(N2C(SC1)C(NC(=O)C(N)C1=CC=CC=C1)C2=O)C(O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C16H17N3O4S1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ZAIPMKNFIOOWCQ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baec4fe78&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>5251862</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>2565</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>
