<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-31 19:15:07 UTC</creation_date>
  <update_date>2026-08-22 08:15:15 UTC</update_date>
  <accession/>
  <common_name>Difenoxin</common_name>
  <class>SmallMolecule</class>
  <description>Difenoxin is an organic compound with the formula C28H28N2O2 and an average molecular weight of 424.54 g/mol. Difenoxin belongs to the diphenylacetonitriles, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized as a benzenoid. This compound acts as an antagonist of the Mu-type opioid receptor (OPRM1). Difenoxin is found in healthcare, pharmaceuticals, and veterinary products where it is used as an antipropulsive, with oral exposure as the recorded route.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1-(3-Cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid</synonym>
    <synonym>4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-</synonym>
    <synonym>Difenossina [DCIT]</synonym>
    <synonym>difenoxin</synonym>
    <synonym>Difenoxin (USAN)</synonym>
    <synonym>Difenoxine</synonym>
    <synonym>Diphenoxin</synonym>
    <synonym>Diphenoxylic acid</synonym>
    <synonym>Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-</synonym>
    <synonym>McN-JR 15,403-11</synonym>
  </synonyms>
  <chemical_formula>C28H28N2O2</chemical_formula>
  <average_molecular_weight>424.544</average_molecular_weight>
  <monisotopic_moleculate_weight>424.215078</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>28782-42-5</cas_registry_number>
  <smiles>OC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1</smiles>
  <inchi>InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)</inchi>
  <inchikey>UFIVBRCCIRTJTN-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>
    <pathway>
      <name>Difenoxin Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0143772</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Difenoxin Predicted Metabolism Pathway</name>
      <smpdb_id>SMP0174848</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.65</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>424.544</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>424.215078</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C28H28N2O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>UFIVBRCCIRTJTN-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:0x00007f7270663e80&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB01501</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>25273607</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>31620</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>BE0000770</target_id>
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  </targets>
</compound>
