<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 18:13:36 UTC</creation_date>
  <update_date>2026-08-18 22:06:59 UTC</update_date>
  <accession/>
  <common_name>Teriflunomide</common_name>
  <class>SmallMolecule</class>
  <description>Teriflunomide is an organic compound with the formula C12H9F3N2O2 and an average molecular weight of 270.21 g/mol. Teriflunomide belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds.

The substance is found in or released from two recorded sources: household cleaning and consumer products, specifically tobacco pipes, and healthcare, pharmaceuticals, and veterinary products, specifically immunosuppressants. The recorded exposure route for this compound is oral. Teriflunomide acts on three recorded protein targets, serving as an inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMGCR) and dihydroorotate dehydrogenase (quinone), mitochondrial (DHODH).</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2-Butenamide, 2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-</synonym>
    <synonym>2-Cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-2-butenamide</synonym>
    <synonym>2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide</synonym>
    <synonym>A77 1726</synonym>
    <synonym>A77 1726-D4</synonym>
    <synonym>Leflunomide-d4 Metabolite (Teriflunomide-d4)</synonym>
  </synonyms>
  <chemical_formula>C12H9F3N2O2</chemical_formula>
  <average_molecular_weight>270.211</average_molecular_weight>
  <monisotopic_moleculate_weight>270.061612</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>163451-81-8</cas_registry_number>
  <smiles>CC(O)=C(/C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F</smiles>
  <inchi>InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)</inchi>
  <inchikey>UTNUDOFZCWSZMS-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>Teriflunomide Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144197</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.14</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>270.211</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>270.061612</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(O)=C(/C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12H9F3N2O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>UTNUDOFZCWSZMS-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:0x00007f3bae6ddfd0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB08880</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>54684141</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>16737143</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>
      <target_id/>
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      <target_id>BE0000382</target_id>
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      <target_id>BE0000574</target_id>
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      <target_id>BE0000612</target_id>
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</compound>
