<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">2750</id>
  <title>T3D2708</title>
  <common-name>Ethchlorvynol</common-name>
  <description>Ethchlorvynol is only found in individuals that have used or taken this drug. It is a sedative and hypnotic drug. It has been used to treat insomnia, but has been largely superseded and is only offered where an intolerance or allergy to other drugs exists. [Wikipedia]Although the exact mechanism of action is unknown, ethchlorvynol appears to depress the central nervous system in a manner similar to that of barbiturates. Barbiturates bind at a distinct binding sites associated with a Cl&lt;sup&gt;-&lt;/sup&gt; ionopore at the GABA&lt;sub&gt;A&lt;/sub&gt; receptor, increasing the duration of time for which the Cl&lt;sup&gt;-&lt;/sup&gt; ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged.</description>
  <cas>113-18-8</cas>
  <pubchem-id>5281077</pubchem-id>
  <chemical-formula>C7H9ClO</chemical-formula>
  <weight>144.034190</weight>
  <appearance nil="true"/>
  <melting-point>&lt; 25°C</melting-point>
  <boiling-point>28.5-30°C</boiling-point>
  <density nil="true"/>
  <solubility>1.43e-01 g/L</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral, rapidly absorbed from gastrointestinal tract.</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Although the exact mechanism of action is unknown, ethchlorvynol appears to depress the central nervous system in a manner similar to that of barbiturates. Barbiturates bind at a distinct binding sites associated with a Cl&lt;sup&gt;-&lt;/sup&gt; ionopore at the GABA&lt;sub&gt;A&lt;/sub&gt; receptor, increasing the duration of time for which the Cl&lt;sup&gt;-&lt;/sup&gt; ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged.</mechanism-of-toxicity>
  <metabolism>About 90% of a dose is metabolized in the liver. Some ethchlorvynol may also be metabolized in the kidneys. Ethchlorvynol and metabolites undergo extensive enterohepatic recirculation.Half Life: Plasma half-life is approximately 10 to 20 hours, terminal half-life is 21-100 hours.</metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Used for short-term hypnotic therapy in the management of insomnia for periods of up to one week in duration; however, this medication generally has been replaced by other sedative-hypnotic agents.</use-source>
  <min-risk-level nil="true"/>
  <health-effects>They cause slurred speech, disorientation and "drunken" behavior. They are physically and psychologically addictive.</health-effects>
  <symptoms>Symptoms of overdose include thrombocytopenia.</symptoms>
  <treatment nil="true"/>
  <created-at type="dateTime">2009-07-21T20:26:15Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:25:50Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Ethchlorvynol</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C07833</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>4882</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Ethchlorvynol</stitch-id>
  <drugbank-id>DB00189</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>[H]\C(Cl)=C(\[H])C(O)(CC)C#C</moldb-smiles>
  <moldb-formula>C7H9ClO</moldb-formula>
  <moldb-inchi>InChI=1/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3/b6-5+</moldb-inchi>
  <moldb-inchikey>InChIKey=ZEHYJZXQEQOSON-AATRIKPKNA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">144.599</moldb-average-mass>
  <moldb-mono-mass type="decimal">144.034192617</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>1.8</logp>
  <hmdb-id>HMDB14335</hmdb-id>
  <chembl-id>CHEMBL591</chembl-id>
  <chemspider-id>4444534</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;Bayley, A. and McLamore, W.M.; U.S. Patent 2,746,900; May 22,1956; assigned to Chas.&lt;br /&gt;
Pfizer &amp;amp; Co., Inc.&lt;/p&gt;</synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
