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<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 00:12:22 UTC</creation_date>
  <update_date>2026-08-22 10:00:34 UTC</update_date>
  <accession/>
  <common_name>(1-Aminoethylidene)bisphosphonic acid</common_name>
  <class>SmallMolecule</class>
  <description>(1-Aminoethylidene)bisphosphonic acid belongs to the bisphosphonates, a subclass of organic phosphonic acids and derivatives within the organic compounds. It is an organic acid and derivative with the formula C2H9NO6P2 and an average molecular weight of 205.04 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C2H9NO6P2</chemical_formula>
  <average_molecular_weight>205.043</average_molecular_weight>
  <monisotopic_moleculate_weight>204.9905103</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>15049-85-1</cas_registry_number>
  <smiles>CC(N)(P(O)(O)=O)P(O)(O)=O</smiles>
  <inchi>InChI=1/C2H9NO6P2/c1-2(3,10(4,5)6)11(7,8)9/h3H2,1H3,(H2,4,5,6)(H2,7,8,9)</inchi>
  <inchikey>GPCTYPSWRBUGFH-UHFFFAOYSA-N</inchikey>
  <taxonomy>
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    <sub_class/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-6.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>205.043</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>204.9905103</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(N)(P(O)(O)=O)P(O)(O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C2H9NO6P2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C2H9NO6P2/c1-2(3,10(4,5)6)11(7,8)9/h3H2,1H3,(H2,4,5,6)(H2,7,8,9)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GPCTYPSWRBUGFH-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <use_source/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>84770</pubchem_compound_id>
  <chembl_id/>
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