<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 04:17:01 UTC</creation_date>
  <update_date>2026-04-06 04:17:01 UTC</update_date>
  <accession/>
  <common_name>(-)-Allantoin</common_name>
  <class>SmallMolecule</class>
  <description>(-)-Allantoin is an organic compound with the chemical formula C4H6N4O3 and an average molecular weight of 158.12 g/mol. (-)-Allantoin belongs to the imidazolidines, a subclass of azolidines within the organic compounds. It is further classified under the superclass of organoheterocyclic compounds.

The substance has been identified in or released from nine recorded sources across various categories. Within household cleaning and consumer products, it is associated with soap dispensers, pipe accessories, other smoking requisites, and non-electric simulated smoking devices. In the sector of electrical and electronic equipment, it is found in antennas, amplifiers, and communication cables or conductors. Additionally, it is linked to food, food processing, and cookware, specifically in the preparation of wine or sparkling wine and the preparation of vinegar.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C4H6N4O3</chemical_formula>
  <average_molecular_weight>158.117</average_molecular_weight>
  <monisotopic_moleculate_weight>158.0439901</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>7303-80-2</cas_registry_number>
  <smiles>NC(=O)N[C@@H]1NC(=O)NC1=O</smiles>
  <inchi>InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m1/s1</inchi>
  <inchikey>POJWUDADGALRAB-PVQJCKRUSA-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/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>158.117</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>158.0439901</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>NC(=O)N[C@@H]1NC(=O)NC1=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4H6N4O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>POJWUDADGALRAB-PVQJCKRUSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7267558670&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>439713</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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