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<compound>
  <version>1.0</version>
  <creation_date>2026-04-15 17:24:47 UTC</creation_date>
  <update_date>2026-05-14 20:34:29 UTC</update_date>
  <accession/>
  <common_name>Ioprocemic acid</common_name>
  <class>SmallMolecule</class>
  <description>Ioprocemic acid belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the chemical formula C13H14I3NO3. With an average molecular weight of 612.97 g/mol, Ioprocemic acid is a heavy molecule.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C13H14I3NO3</chemical_formula>
  <average_molecular_weight>612.972</average_molecular_weight>
  <monisotopic_moleculate_weight>612.81078</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1456-52-6</cas_registry_number>
  <smiles>CCN(C(C)=O)C1=C(I)C(CCC(O)=O)=C(I)C=C1I</smiles>
  <inchi>InChI=1S/C13H14I3NO3/c1-3-17(7(2)18)13-10(15)6-9(14)8(12(13)16)4-5-11(19)20/h6H,3-5H2,1-2H3,(H,19,20)</inchi>
  <inchikey>LLLMGEDYKIIGPY-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <sub_class/>
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  </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>612.972</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>612.81078</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCN(C(C)=O)C1=C(I)C(CCC(O)=O)=C(I)C=C1I</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C13H14I3NO3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C13H14I3NO3/c1-3-17(7(2)18)13-10(15)6-9(14)8(12(13)16)4-5-11(19)20/h6H,3-5H2,1-2H3,(H,19,20)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LLLMGEDYKIIGPY-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <lethaldose/>
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  <use_source/>
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  <symptoms/>
  <treatment/>
  <drugbank_id>DB20503</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>172980</pubchem_compound_id>
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