<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:12:43 UTC</creation_date>
  <update_date>2026-05-14 19:06:11 UTC</update_date>
  <accession/>
  <common_name>MAGNESIUM CARBONATE</common_name>
  <class>SmallMolecule</class>
  <description>Magnesium carbonate is a compound with the formula CH2MgO4 and an average molecular weight of 102.33 g/mol. MAGNESIUM CARBONATE belongs to the organic carbonic acids, a subclass of organic carbonic acids and derivatives within the organic compounds. In industrial applications, it is utilized as a drier, flame retardant, lubricating agent, and anti-caking agent (PMC8954811). It further serves as a pH regulating agent, humectant, flavouring and nutrient, and as processing aids not otherwise specified (PMC8954811).

The compound is found in or released from 48 recorded sources. These include household cleaning and consumer products such as bleaching agents, ash trays, pipe accessories, cigar cigarettes, and perfumes within detergents and soaps. It is present in building and construction materials including floors, ceilings, roofs, fencing, and stairs and ramps. In the realm of food, food processing and cookware, it is associated with food preservation, the preparation of vinegar and wort, fermentation processes for beer, and the processing of fish. Other sources include watch chains and healthcare, pharmaceuticals and veterinary products, specifically unclassified therapeutic products and drugs for constipation and acid related disorders. Recorded exposure routes include topical, oral, and irrigation.

Magnesium carbonate is used in plastics such as polypropylene, polyethylene terephthalate, polyamide, polyvinyl chloride, low-density polyethylene, and high-density polyethylene. Regarding biological activity, there are 7 recorded protein targets, including the glutamate receptor ionotropic NMDA 1 (GRIN1), NMDA 2A (GRIN2A), NMDA 2D (GRIN2D), and NMDA 3B (GRIN3B), as well as 3 other proteins.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>CH2MgO4</chemical_formula>
  <average_molecular_weight>102.328</average_molecular_weight>
  <monisotopic_moleculate_weight>101.98035024</monisotopic_moleculate_weight>
  <iupac_name>magnesium(2+) ion hydrate carbonate</iupac_name>
  <traditional_iupac>magnesium(2+) ion hydrate carbonate</traditional_iupac>
  <cas_registry_number>39409-82-0</cas_registry_number>
  <smiles>O.[Mg++].[O-]C([O-])=O</smiles>
  <inchi>InChI=1S/CH2O3.Mg.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/q;+2;/p-2</inchi>
  <inchikey>OUHCLAKJJGMPSW-UHFFFAOYSA-L</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Organic carbonic acids and derivatives</class>
    <sub_class>Organic carbonic acids</sub_class>
    <direct_parent>Organic carbonic acids</direct_parent>
    <alternate_parents>
      <alternative_parent>Carbonate salts</alternative_parent>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organic salts</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonate salt</substituent>
      <substituent>Carbonic acid</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organooxygen compound</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Magnesium carbonate Drug Metabolism</name>
      <smpdb_id>SMP0130506</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Magnesium carbonate Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144497</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>0.25</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.52</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>0.21</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>2.26e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.25</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>6.05</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>magnesium(2+) ion hydrate carbonate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>102.328</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>101.98035024</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>O.[Mg++].[O-]C([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>CH2MgO4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/CH2O3.Mg.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/q;+2;/p-2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>OUHCLAKJJGMPSW-UHFFFAOYSA-L</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>63.19</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>31.17</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>3.52</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226085dc8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB09481</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>11029</pubchem_compound_id>
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  <kegg_id/>
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</compound>
