<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">857</id>
  <title>T3D0855</title>
  <common-name>Mirex</common-name>
  <description>Mirex is a a chlorinated hydrocarbon , a manufactured insecticide. It was used to control fire ants, and as a flame retardant in plastics, rubber, paint, paper, and electrical goods. However, its used was banned in 1976 due to its toxicity and nature as a persistent organic pollutant. (L601, L617). Mirex is only moderately toxic in single-dose animal studies (oral LD50 values range from 365Р3000 mg/kg body weight).[6] It can enter the body via inhalation, ingestion, and via the skin. The most sensitive effects of repeated exposure in animals are principally associated with the liver, and these effects have been observed with doses as low as 1.0 mg/kg diet (0.05 mg/kg body weight per day), the lowest dose tested. At higher dose levels, it is fetotoxic (25 mg/kg in diet) and teratogenic (6.0 mg/kg per day). Mirex was not generally active in short-term tests for genetic activity. There is sufficient evidence of its carcinogenicity in mice and rats. Delayed onset of toxic effects and mortality is typical of mirex poisoning. Mirex is toxic for a range of aquatic organisms, with crustacea being particularly sensitive.</description>
  <cas>2385-85-5</cas>
  <pubchem-id>16945</pubchem-id>
  <chemical-formula>C10Cl12</chemical-formula>
  <weight>539.626230</weight>
  <appearance>White crystals.</appearance>
  <melting-point>485°C</melting-point>
  <boiling-point></boiling-point>
  <density></density>
  <solubility>8.5e-05 mg/mL at 25°C [YALKOWSKY,SH &amp; HE,Y (2003)]</solubility>
  <specific-gravity></specific-gravity>
  <flash-point></flash-point>
  <vapour-pressure></vapour-pressure>
  <route-of-exposure>Oral (L601) ; inhalation (L601) ;  dermal (L601)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Mirex inhibits sodium/potassium-transporting ATPases, producing neurotoxic effects and impairing energy-dependent cellular processes. (A216)</mechanism-of-toxicity>
  <metabolism>Mirex is mainly absorbed through the gastrointestional tract, but may also be absorbed through the lungs and skin. Once absorbed, mirex is widely
distributed throughout the body but is sequestered in the adipose tissue. It has a long retention time in the body. Mirex is not metabolized by humans and is excreted unchanged in the feces. (L601)</metabolism>
  <toxicity>LD50: 306 mg/kg (Oral, Rat) (T98)
LD50: 800 mg/kg (Subcutaneous, Rabbit) (T98)
LD50: 2000 mg/kg (Dermal, Rabbit) (T99)
LD50: 365 mg/kg (Intraperitoneal, Rat) (T99)</toxicity>
  <lethaldose nil="true"/>
  <carcinogenicity>2B, possibly carcinogenic to humans. (L135)</carcinogenicity>
  <use-source>Mirex is an insecticide used to control fire ants. It was also used as a flame retardant in plastics, rubber, paint, paper, and electrical goods. (L601)</use-source>
  <min-risk-level>Chronic Oral: 0.0008 mg/kg/day (L134)</min-risk-level>
  <health-effects>Animal studies have shown that ingesting high levels of mirex can harm the stomach, intestine, liver, kidneys, eyes, thyroid, and nervous and reproductive systems. (L601)</health-effects>
  <symptoms></symptoms>
  <treatment nil="true"/>
  <created-at type="dateTime">2009-06-09T17:20:39Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:22:53Z</updated-at>
  <interacting-proteins></interacting-proteins>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C14184</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>34852</chebi-id>
  <biocyc-id>DIHYDRO-DIOH-BENZOATE</biocyc-id>
  <ctd-id>D008917</ctd-id>
  <stitch-id>Mirex</stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id>915</actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl</moldb-smiles>
  <moldb-formula>C10Cl12</moldb-formula>
  <moldb-inchi>InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18</moldb-inchi>
  <moldb-inchikey>InChIKey=GVYLCNUFSHDAAW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">545.543</moldb-average-mass>
  <moldb-mono-mass type="decimal">539.626232484</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB59573</hmdb-id>
  <chembl-id>CHEMBL442231</chembl-id>
  <chemspider-id>16054</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 nil="true"/>
  <structure-image-caption nil="true"/>
</compound>
