<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 13:47:54 UTC</creation_date>
  <update_date>2026-08-21 22:19:12 UTC</update_date>
  <accession/>
  <common_name>Ertugliflozin</common_name>
  <class>SmallMolecule</class>
  <description>Ertugliflozin is an organic compound with the formula C22H25ClO7 and an average molecular weight of 436.89 g/mol. Ertugliflozin belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. It functions as an inhibitor of the protein target Sodium/glucose cotransporter 2 (SLC5A2). This compound is released from healthcare, pharmaceuticals, and veterinary products, specifically those used as blood glucose lowering drugs excluding insulins. The recorded route of exposure for this substance is oral.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C22H25ClO7</chemical_formula>
  <average_molecular_weight>436.89</average_molecular_weight>
  <monisotopic_moleculate_weight>436.1288808</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1210344-57-2</cas_registry_number>
  <smiles>CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)C=C1</smiles>
  <inchi>InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1</inchi>
  <inchikey>MCIACXAZCBVDEE-CUUWFGFTSA-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>
    <pathway>
      <name>Ertugliflozin Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144790</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.32</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>436.89</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>436.1288808</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)C=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C22H25ClO7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>MCIACXAZCBVDEE-CUUWFGFTSA-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:0x00007f7281b65328&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB11827</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>44814423</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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      <target_id>BE0004753</target_id>
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</compound>
