<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:08:18 UTC</creation_date>
  <update_date>2025-11-18 23:14:44 UTC</update_date>
  <accession>FDB008899</accession>
  <name>Albumin</name>
  <description>Perflutren, a diagnostic drug that is intended to be used for contrast enhancement during the indicated echocardiographic procedures, comprised of lipid-coated microspheres filled with octafluoropropane(OFP) gas. It provide contrast enhancement of the endocardial borders during echocardiography. The perflutren lipid microspheres exhibit lower acoustic impedance than blood and enhance the intrinsic backscatter of blood. Albumin is found in brazil nut, common wheat, and ginger.</description>
  <synonyms>
    <synonym>1,1,1,2,2,3,3,3-octafluoropropane</synonym>
    <synonym>Albumin human</synonym>
    <synonym>Albumin, human</synonym>
    <synonym>Albuminar-20</synonym>
    <synonym>Albuminar-25</synonym>
    <synonym>Albuminar-5</synonym>
    <synonym>Albumins, human</synonym>
    <synonym>Alburx</synonym>
    <synonym>Albutein 25% Soln Usp</synonym>
    <synonym>Albutein 5% Soln Usp</synonym>
    <synonym>Buminate 25%</synonym>
    <synonym>Buminate 5%</synonym>
    <synonym>C3F8-gas</synonym>
    <synonym>Definity</synonym>
    <synonym>Definity (TN)</synonym>
    <synonym>Diluent for allergenic extract sterile albumin saline with phenol</synonym>
    <synonym>FC 218</synonym>
    <synonym>FC 218 (refrigerant)</synonym>
    <synonym>Flexbumin</synonym>
    <synonym>Freon 218</synonym>
    <synonym>Genetron 218</synonym>
    <synonym>Human albumin</synonym>
    <synonym>Human albumin - perflutren</synonym>
    <synonym>Jeanatope</synonym>
    <synonym>Liposome-encapsulated perfluoropane microsphere</synonym>
    <synonym>Octafluoropropane</synonym>
    <synonym>Octafluoropropane-lipid microsphere</synonym>
    <synonym>Octafluorpropan</synonym>
    <synonym>Oktafluorpropan</synonym>
    <synonym>Optison</synonym>
    <synonym>Perfluoropropane</synonym>
    <synonym>Perfluoropropane - albumin</synonym>
    <synonym>Perflutren</synonym>
    <synonym>Perflutren - human albumin</synonym>
    <synonym>Perflutren (jan/usan/inn)</synonym>
    <synonym>Perflutren [usan]</synonym>
    <synonym>Perflutren and human albumin</synonym>
    <synonym>Perflutren lipid microsphere</synonym>
    <synonym>Perflutren-lipid microsphere</synonym>
    <synonym>Propane, 1,1,1,2,2,3,3,3-octafluoro-</synonym>
    <synonym>Propane, octafluoro-</synonym>
  </synonyms>
  <chemical_formula>C3F8</chemical_formula>
  <average_molecular_weight>188.0193</average_molecular_weight>
  <monisotopic_moleculate_weight>187.98722564</monisotopic_moleculate_weight>
  <iupac_name>octafluoropropane</iupac_name>
  <traditional_iupac>definity</traditional_iupac>
  <cas_registry_number>76-19-7</cas_registry_number>
  <smiles>FC(F)(F)C(F)(F)C(F)(F)F</smiles>
  <inchi>InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11</inchi>
  <inchikey>QYSGYZVSCZSLHT-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as organofluorides. Organofluorides are compounds containing a chemical bond between a carbon atom and a fluorine atom.</description>
    <direct_parent>Organofluorides</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organohalogen compounds</super_class>
    <class>Organofluorides</class>
    <sub_class/>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Alkyl fluorides</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkyl fluoride</substituent>
      <substituent>Alkyl halide</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organofluoride</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>fluorocarbon</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state>Liquid</state>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>2.96</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-3.11</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.46e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>2.78</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>octafluoropropane</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>188.0193</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>187.98722564</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>FC(F)(F)C(F)(F)C(F)(F)F</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C3F8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>QYSGYZVSCZSLHT-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>17.54</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>7.1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>23704</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>164362</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>67956</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>67957</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>67958</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>125874</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>125875</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>125876</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2631566</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2631567</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2631568</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB14696</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id>31980</chebi_id>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x000055ce335bfdb8&gt;</reference>
  </general_references>
  <foods>
    <food>
      <name>Brazil nut</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Bertholletia excelsa</name_scientific>
      <ncbi_taxonomy_id>3645</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Common wheat</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Triticum aestivum</name_scientific>
      <ncbi_taxonomy_id>4565</ncbi_taxonomy_id>
      <average_value>4000.0</average_value>
      <max_value>4000.0</max_value>
      <min_value>4000.0</min_value>
      <unit>mg/100 g</unit>
    </food>
    <food>
      <name>Ginger</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Zingiber officinale</name_scientific>
      <ncbi_taxonomy_id>94328</ncbi_taxonomy_id>
      <average_value>2545.4</average_value>
      <max_value>2545.4</max_value>
      <min_value>2545.4</min_value>
      <unit>mg/100 g</unit>
    </food>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
