<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:08:47 UTC</creation_date>
  <update_date>2025-11-18 23:17:21 UTC</update_date>
  <accession>FDB009748</accession>
  <name>Magnesium cyclamate</name>
  <description>It is used as a food additive, prohibited .</description>
  <synonyms>
    <synonym>Cyclamate magnesium dihydrate</synonym>
    <synonym>Cyclohexanesulfamic Acid, Magnesium Salt (2:1)</synonym>
    <synonym>Cyclohexanesulfamic acid, magnesium salt, hydrate (2:1:2)</synonym>
    <synonym>Magnesium cyclamate</synonym>
    <synonym>Magnesium cyclamate dihydrate</synonym>
    <synonym>Magnesium cyclohexanesulfamate dihydrate</synonym>
    <synonym>Magnesium cyclohexylsulfamate dihydrate</synonym>
    <synonym>Magnesium n-cyclohexylsulfamate dihydrate</synonym>
    <synonym>N-cyclohexylsulfamate de magnesium dihydrate</synonym>
    <synonym>Sulfamic acid, cyclohexyl-, magnesium salt (2:1)</synonym>
    <synonym>Sulfamic acid, cyclohexyl-, magnesium salt (2:1), dihydrate</synonym>
  </synonyms>
  <chemical_formula>C6H13MgNO3S</chemical_formula>
  <average_molecular_weight>203.542</average_molecular_weight>
  <monisotopic_moleculate_weight>203.046655875</monisotopic_moleculate_weight>
  <iupac_name>magnesium(2+) ion N-cyclohexylsulfamic acid</iupac_name>
  <traditional_iupac>magnesium(2+) ion cyclamate</traditional_iupac>
  <cas_registry_number>7757-85-9</cas_registry_number>
  <smiles>[Mg++].OS(=O)(=O)NC1CCCCC1</smiles>
  <inchi>InChI=1S/C6H13NO3S.Mg/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+2</inchi>
  <inchikey>CFTUWMFDKZOCIO-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as cyclamates. Cyclamates are compounds containing a cyclohexylsulfamic acid moiety.</description>
    <direct_parent>Cyclamates</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Sulfamic acid derivatives</class>
    <sub_class>Cyclamates</sub_class>
    <molecular_framework>Aliphatic homomonocyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic cations</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organonitrogen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Sulfuric acid monoamides</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Aliphatic homomonocyclic compound</substituent>
      <substituent>Cyclamic_acid_derivative</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic cation</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic sulfuric acid or derivatives</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Sulfuric acid monoamide</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>0.61</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>-0.83</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-9.7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>magnesium(2+) ion N-cyclohexylsulfamic acid</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>203.542</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>203.046655875</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Mg++].OS(=O)(=O)NC1CCCCC1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C6H13MgNO3S</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C6H13NO3S.Mg/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>CFTUWMFDKZOCIO-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>66.4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>41.22</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>17.7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>2</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
