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Name Description
id 30
T3DB ID T3D0034
Name Heptachlor
Class SmallMolecule
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)
Categories "Cigarette Toxin", "Pesticide", "Pollutant", "Airborne Pollutant", "Synthetic Toxin"
Types "Organic Compound", "Organochloride", "Pesticide", "Pollutant", "Cigarette Toxin", "Synthetic Compound"
Synonyms "1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene", "1,4,5,6,7,8,8-Heptachlorotetrahydro-4,7-methanoindene", "1,5,7,8,9,10,10-Heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene", "3,4,5,6,7,8,8-A-heptachloro-alpha-Dicyclopentadiene", "3,4,5,6,7,8,8-Heptachlorodicyclopentadiene", "3,4,5,6,7,8,8a-Heptachlorodicyclopentadiene", "3-Chlorochlordene", "Aahepta", "Agroceres", "Arbinex 30TN", "Basaklor", "Drinox", "Drinox H-34", "Heptachlorane", "Heptachlore", "Heptachlorotetrahydro-4,7-methanoindene", "Heptagran", "Heptagranox", "Heptaklor", "Heptamak", "Heptamul", "Heptasol", "Heptox", "Soleptax", "Tetrahydro", "Velsicol heptachlor"
CAS Number 76-44-8
Chemical Formula C10H5Cl7
Average Molecular Mass 373.32
Monoisotopic Mass 369.82
IUPAC Name 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0²,?]deca-3,8-diene
Traditional Name heptachlor
SMILES ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
InChI Identifier 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
InChI Key InChIKey=FRCCEHPWNOQAEU-UHFFFAOYSA-N
Kingdom Organic Compounds
Super Class Organohalogen Compounds
Class Vinyl Halides
Sub Class Vinyl Chlorides
Direct Parent Cycloalkenes
Alternate Parents "Chloroalkenes", "Organochlorides", "Alkyl Chlorides"
Geometric Description Aliphatic Homopolycyclic Compounds
Substituents "organochloride", "alkyl chloride", "Alkyl Halide", "Aliphatic Homopolycyclic Compound", "Chloroalkene", "Vinyl Chloride", "Haloalkene"
Descriptors "Organochlorine pesticides (KEGG)", "Organochlorine insecticides (KEGG)"
Status Detected and Not Quantified
Origin Exogenous
Cellular Locations "Membrane"
Biofluids
Tissues
Pathways
State Solid
Appearance White or tan powder.
Melting Point 95.5°C
Boiling Point 135-145°C at 1-1.5 mmHg
Solubility 0.00018 mg/mL at 25 °C [BIGGAR,JW & RIGGS,RI (1974)]
LogP
Route of Exposure Oral (L116) ; inhalation (L116) ; dermal (L116)
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)
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)
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)
Lethal Dose
Carcinogenicity 2B, possibly carcinogenic to humans. (L135)
Uses/Sources Heptachlor was originally widely produced as an insecticide, but is now used only in fire and control in underground transformers. (L118)
Minimum Risk Level Acute Oral: 0.0006 mg/kg/day (L134) Intermediate Oral: 0.0001 mg/kg/day (L134)
Health Effects Exposure to heptachlor may cause damage to your liver, nervous system, and immune system. (L118)
Symptoms Heptachlor poisoning may cause convulsions, vomiting, seizures, confusion, incoordination, excitability, coma, hypotension, and respiratory failure. (L118)
Treatment Treatment is symptomatic and is aimed at controlling convulsions, coma, and respiratory depression. (L118)
DrugBank ID
HMDB ID
PubChem Compound ID 3589
ChEMBL ID CHEMBL194400
ChemSpider ID 3463
KEGG Compound ID C14185
UniProt ID 0
OMIM ID 0
ChEBI ID 34785
BioCyc ID
CTD ID D006533
Stitch ID Heptachlor
PDB ID
ACToR ID 688
Wikipedia Link http://en.wikipedia.org/wiki/Heptachlor
Creation Date 2009-03-06 18:57:57
Update Date 2014-12-24 20:20:56