<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">35</id>
  <title>T3D0034</title>
  <common-name>Heptachlor</common-name>
  <description>Heptachlor is a manufactured cyclodiene organochlorine insecticide. As it is a persistant organic pollutant, heptachlor use is banned or limited in most areas. It is one ingredient of cigarette. (L118, L119)</description>
  <cas>76-44-8</cas>
  <pubchem-id>3589</pubchem-id>
  <chemical-formula>C10H5Cl7</chemical-formula>
  <weight>369.821090</weight>
  <appearance>White or tan powder.</appearance>
  <melting-point>95.5°C</melting-point>
  <boiling-point>135-145°C at 1-1.5 mmHg</boiling-point>
  <density nil="true"/>
  <solubility>0.00018 mg/mL at 25 °C [BIGGAR,JW &amp; RIGGS,RI (1974)]</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral (L116) ; inhalation  (L116) ; dermal (L116)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Heptachlor is a central nervous system stimulant. It non-competitively blocks neurotransmitter action at gamma-amino butyric acid receptors, resulting in overstimulation of the nervous system. Heptachlor is also believed to exert carcinogenic effects by activating key kinases in signalling pathways and inhibiting apoptosis. (L118, A81, A82)</mechanism-of-toxicity>
  <metabolism>Heptachlor is readily absorbed by the skin, lungs and gastrointestinal tract. It is readily metabolized by liver microsomes into heptachlor epoxide, its most persistent and toxic metabolite, which is mainly stored in adipose tissue. Heptachlor epoxide is excreted in the urine and faeces. (L118)</metabolism>
  <toxicity>LC50: 150 mg/kg over 4 hours (Inhalation, Cat) (T20)
LD50: 500-2000 mg/kg (Dermal, Rabbit) (T20)
LD50: 80-90 mg/kg (Oral, Rabbit) (T20)
LD50: 27 mg/kg (Intraperitoneal, Rat) (T20)</toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>2B, possibly carcinogenic to humans. (L135)</carcinogenicity>
  <use-source>Heptachlor was originally widely produced as an insecticide, but is now used only in fire and control in underground transformers. (L118)</use-source>
  <min-risk-level>Acute Oral: 0.0006 mg/kg/day (L134)
Intermediate Oral: 0.0001 mg/kg/day (L134)</min-risk-level>
  <health-effects>Exposure to heptachlor may cause damage to your liver, nervous system, and immune system. (L118)</health-effects>
  <symptoms>Heptachlor poisoning may cause convulsions, vomiting, seizures, confusion, incoordination, excitability, coma, hypotension, and respiratory failure. (L118)</symptoms>
  <treatment>Treatment is symptomatic and is aimed at controlling convulsions, coma, and respiratory depression. (L118)
</treatment>
  <created-at type="dateTime">2009-03-06T18:57:57Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:20:56Z</updated-at>
  <interacting-proteins>Alkaline phosphatase (P05186) 
Cytochrome P450 19A1 (P11511) 
Cytochrome P450 19A2 (P05177) 
(L118)</interacting-proteins>
  <wikipedia>http://en.wikipedia.org/wiki/Heptachlor</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C14185</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>34785</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id>D006533</ctd-id>
  <stitch-id>Heptachlor</stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id>688</actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins>Alkaline phosphatase (P05186) 
Cytochrome P450 19A1 (P11511) 
Cytochrome P450 19A2 (P05177) 
(L118)</metabolizing-proteins>
  <transporting-proteins nil="true"/>
  <moldb-smiles>ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl</moldb-smiles>
  <moldb-formula>C10H5Cl7</moldb-formula>
  <moldb-inchi>InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H</moldb-inchi>
  <moldb-inchikey>InChIKey=FRCCEHPWNOQAEU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">373.318</moldb-average-mass>
  <moldb-mono-mass type="decimal">369.821094109</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL194400</chembl-id>
  <chemspider-id>3463</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></synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
