<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 19:27:54 UTC</creation_date>
  <update_date>2026-05-14 19:07:02 UTC</update_date>
  <accession/>
  <common_name>Trimagnesium dicitrate</common_name>
  <class>SmallMolecule</class>
  <description>Trimagnesium dicitrate is an organic compound with the chemical formula C6H8O7.3/2Mg and an average molecular weight of 451.11 g/mol. Trimagnesium dicitrate belongs to the tricarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds.

This substance is found in or released from 15 recorded sources across several categories. In the realm of healthcare, pharmaceuticals, and veterinary products, it is utilized in minerals, irrigating solutions, and drugs for constipation. Within food, food processing, and cookware, it is associated with the treatment of hops and the preparation of wort and vinegar. Its presence is also noted in household cleaning and consumer products, specifically in soap dispensers, other smoking requisites, and non-electric simulated smoking devices. Additionally, it is found in building and construction materials such as floors and ceilings, as well as in electrical and electronic equipment, including antennas, coils, gas-filled discharge tubes with solid cathodes, and communication cables or conductors. Recorded exposure routes for the compound include oral, rectal, topical, and irrigation.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C6H8O7.3/2Mg</chemical_formula>
  <average_molecular_weight>451.113</average_molecular_weight>
  <monisotopic_moleculate_weight>449.9621801</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>3344-18-1</cas_registry_number>
  <smiles>C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Mg+2].[Mg+2].[Mg+2]</smiles>
  <inchi>InChI=1/2C6H8O7.3Mg/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6</inchi>
  <inchikey>PLSARIKBYIPYPF-UHFFFAOYSA-H</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>Magnesium citrate Drug Metabolism</name>
      <smpdb_id>SMP0130644</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Magnesium citrate Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144569</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-1.3</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>451.113</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>449.9621801</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Mg+2].[Mg+2].[Mg+2]</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H8O7.3/2Mg</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/2C6H8O7.3Mg/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PLSARIKBYIPYPF-UHFFFAOYSA-H</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:0x00007f72678b4760&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB11110</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>6099959</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
