CHEBI:4791 - endosulfan

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ChEBI Name endosulfan
ChEBI ID CHEBI:4791
Definition A cyclic sulfite ester that is 1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide substituted by chloro groups at positions 6, 7, 8, 9, 10 and 10.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C9H6Cl6O3S
Net Charge 0
Average Mass 406.92434
Monoisotopic Mass 403.817
InChI InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2
InChIKey RDYMFSUJUZBWLH-UHFFFAOYSA-N
SMILES ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl
Roles Classification
Chemical Role(s): persistent organic pollutant
Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains.
Biological Role(s): GABA-gated chloride channel antagonist

Application(s): acaricide
A substance used to destroy pests of the subclass Acari (mites and ticks).
agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
insecticide
Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
(via organochlorine insecticide )
pesticide
Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
(via organochlorine pesticide )
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ChEBI Ontology
Outgoing endosulfan (CHEBI:4791) has role acaricide (CHEBI:22153)
endosulfan (CHEBI:4791) has role agrochemical (CHEBI:33286)
endosulfan (CHEBI:4791) has role GABA-gated chloride channel antagonist (CHEBI:38999)
endosulfan (CHEBI:4791) has role persistent organic pollutant (CHEBI:77853)
endosulfan (CHEBI:4791) is a cyclic sulfite ester (CHEBI:39089)
endosulfan (CHEBI:4791) is a cyclodiene organochlorine insecticide (CHEBI:23457)
IUPAC Name
6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide
Synonyms Sources
1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite ChemIDplus
1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite ChemIDplus
1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide IUPAC
alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite ChemIDplus
Benzoepin KEGG COMPOUND
Endosulfan KEGG COMPOUND
Database Links Databases
C11090 KEGG COMPOUND
CN102601109 Patent
CN103074276 Patent
Endosulfan Wikipedia
ZW5287 Patent
View more database links
Registry Numbers Types Sources
115-29-7 CAS Registry Number KEGG COMPOUND
115-29-7 CAS Registry Number NIST Chemistry WebBook
115-29-7 CAS Registry Number ChemIDplus
1262315 Reaxys Registry Number Reaxys
1262315 Beilstein Registry Number Beilstein
Last Modified
28 July 2014
General Comment
2014-03-10 The organochlorine insecticide, Endosulfan, has been phased out globally due to its acute toxicity.