<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">2924</id>
  <title>T3D2882</title>
  <common-name>Isoflurane</common-name>
  <description>Isoflurane is only found in individuals that have used or taken this drug. It is a stable, non-explosive inhalation anesthetic, relatively free from significant side effects. [PubChem]Isoflurane induces a reduction in junctional conductance by decreasing gap junction channel opening times and increasing gap junction channel closing times. Isoflurane also activates calcium dependent ATPase in the sarcoplasmic reticulum by increasing the fluidity of the lipid membrane. Also appears to bind the D subunit of ATP synthase and NADH dehydogenase. Isoflurane also binds to the GABA receptor, the large conductance Ca&lt;sup&gt;2+&lt;/sup&gt; activated potassium channel, the glutamate receptor and the glycine receptor.</description>
  <cas>26675-46-7</cas>
  <pubchem-id>3763</pubchem-id>
  <chemical-formula>C3H2ClF5O</chemical-formula>
  <weight>183.971430</weight>
  <appearance nil="true"/>
  <melting-point>48-48.5°C</melting-point>
  <boiling-point>48.5°C</boiling-point>
  <density nil="true"/>
  <solubility>4470 mg/L (at 37°C)</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Inhalation</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Isoflurane induces a reduction in junctional conductance by decreasing gap junction channel opening times and increasing gap junction channel closing times. Isoflurane also activates calcium dependent ATPase in the sarcoplasmic reticulum by increasing the fluidity of the lipid membrane. Also appears to bind the D subunit of ATP synthase and NADH dehydogenase. Isoflurane also binds to the GABA receptor, the large conductance Ca&lt;sup&gt;2+&lt;/sup&gt; activated potassium channel, the glutamate receptor and the glycine receptor.</mechanism-of-toxicity>
  <metabolism>Minimal</metabolism>
  <toxicity>LC50=15300 ppm/3 hrs (inhalation by rat)</toxicity>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>For induction and maintenance of general anesthesia.</use-source>
  <min-risk-level nil="true"/>
  <health-effects>May lead to cardiac arrhythmias and death (Rarely). In susceptible individuals, Isoflurane anesthesia may trigger a skeletal muscle hypermetabolic state leading to high oxygen demand and the clinical syndrome known as malignant hyperthermia. The syndrome includes nonspecific features such as muscle rigidity, tachycardia, tachypnea, cyanosis, arrhythmias, and unstable blood pressure.(L1471)</health-effects>
  <symptoms>The predicted effects of acute overexposure by inhalation of Isoflurane, USP include headache, dizziness or (in extreme cases) unconsciousness. (L1471)</symptoms>
  <treatment>Stop drug administration, establish a clear airway, and initiate assisted or controlled ventilation with pure oxygen. (L1712)</treatment>
  <created-at type="dateTime">2009-07-21T20:27:35Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:25:52Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Isoflurane</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C07518</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>6015</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Isoflurane</stitch-id>
  <drugbank-id>DB00753</drugbank-id>
  <pdb-id></pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>FC(F)OC(Cl)C(F)(F)F</moldb-smiles>
  <moldb-formula>C3H2ClF5O</moldb-formula>
  <moldb-inchi>InChI=1/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H</moldb-inchi>
  <moldb-inchikey>InChIKey=PIWKPBJCKXDKJR-UHFFFAOYNA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">184.492</moldb-average-mass>
  <moldb-mono-mass type="decimal">183.971433418</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>2.06</logp>
  <hmdb-id>HMDB14891</hmdb-id>
  <chembl-id>CHEMBL1256</chembl-id>
  <chemspider-id>3631</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference>&lt;p&gt;Leonid A. Rozov, Fernando Quiroz, Gerald G. Vernice, &amp;#8220;Preparation of isoflurane.&amp;#8221; U.S. Patent US5416244, issued March, 1973.&lt;/p&gt;</synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
