<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-14 17:46:07 UTC</creation_date>
  <update_date>2026-05-14 19:06:22 UTC</update_date>
  <accession/>
  <common_name>Urea C-13</common_name>
  <class>SmallMolecule</class>
  <description>Urea C-13 is an organic compound with the formula CH4N2O and an average molecular weight of 61.05 g/mol. Urea C-13 belongs to the ureas, a subclass of organic carbonic acids and derivatives within the organic compounds. This substance is found in or released from one recorded source: healthcare, pharmaceuticals &amp; veterinary products, specifically as unclassified diagnostic agents. The recorded route of exposure for this compound is oral.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>CH4N2O</chemical_formula>
  <average_molecular_weight>61.048</average_molecular_weight>
  <monisotopic_moleculate_weight>61.035717592</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>58069-82-2</cas_registry_number>
  <smiles>N[13C](N)=O</smiles>
  <inchi>InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1</inchi>
  <inchikey>XSQUKJJJFZCRTK-OUBTZVSYSA-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>-1.4</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>61.048</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>61.035717592</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>N[13C](N)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>CH4N2O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XSQUKJJJFZCRTK-OUBTZVSYSA-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:0x00007f727ac5c940&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB09510</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>636363</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
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  <stitch_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
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