<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-31 20:38:40 UTC</creation_date>
  <update_date>2026-08-30 13:30:39 UTC</update_date>
  <accession/>
  <common_name>Cefalex</common_name>
  <class>SmallMolecule</class>
  <description>Cefalex is an organic compound with the formula C22H27N3O6S1 and an average molecular weight of 461.50 g/mol. Cefalex belongs to the beta lactams, a subclass of lactams within the organic compounds. It is classified as an organoheterocyclic compound. This substance is found in or released from one recorded source: healthcare, pharmaceuticals &amp; veterinary products (Antibiotics). Recorded exposure routes for this compound include inhalation and oral administration.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(6R,7R)-7-[[(2R)-2-amino-1-oxo-2-phenylethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester</synonym>
    <synonym>(6R,7R)-7-[[(2R)-2-amino-2-phenyl-acetyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid pivaloyloxymethyl ester</synonym>
    <synonym>(pivaloyloxy)methyl [6R-[6?,7?(R*)]]-7-(2-amino-2-phenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate monohydrochloride</synonym>
    <synonym>(pivaloyloxy)methyl [6R-[6?,7?(R*)]]-7-(aminophenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate</synonym>
    <synonym>2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate</synonym>
    <synonym>2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2R)-2-amino-2-phenyl-ethanoyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate</synonym>
    <synonym>2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate</synonym>
    <synonym>264-509-1</synonym>
    <synonym>5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)-</synonym>
    <synonym>7-(D-2-Amino-2-phenylacetamido)desacetoxycephalosporanic Acid Pivaloyloxymethyl Ester</synonym>
    <synonym>Cefalex</synonym>
    <synonym>Pivcefalexin</synonym>
    <synonym>pivcephalexin</synonym>
    <synonym>Sigmacef</synonym>
    <synonym>UNII-U6N5QZ6580</synonym>
    <synonym>UNII:U6N5QZ6580</synonym>
    <synonym>[(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate</synonym>
  </synonyms>
  <chemical_formula>C22H27N3O6S1</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>461.162056</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>63836-75-9;27726-31-4</cas_registry_number>
  <smiles>CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)OCOC(=O)C(C)(C)C</smiles>
  <inchi>InChI=1S/C22H27N3O6S/c1-12-10-32-19-15(24-17(26)14(23)13-8-6-5-7-9-13)18(27)25(19)16(12)20(28)30-11-31-21(29)22(2,3)4/h5-9,14-15,19H,10-11,23H2,1-4H3,(H,24,26)/t14-,15-,19-/m1/s1</inchi>
  <inchikey>DIGADQKVPFDJSI-SPYBWZPUSA-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>
    <property>
      <kind>logp</kind>
      <value>4.6</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>461.162056</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)OCOC(=O)C(C)(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C22H27N3O6S1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C22H27N3O6S/c1-12-10-32-19-15(24-17(26)14(23)13-8-6-5-7-9-13)18(27)25(19)16(12)20(28)30-11-31-21(29)22(2,3)4/h5-9,14-15,19H,10-11,23H2,1-4H3,(H,24,26)/t14-,15-,19-/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DIGADQKVPFDJSI-SPYBWZPUSA-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:0x00007f726f5882a0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>20055002</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>16735971</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
    <target>
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</compound>
