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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6Cl6
Molecular Weight 290.83
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-HEXACHLOROCYCLOHEXANE

SMILES

Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl

InChI

InChIKey=JLYXXMFPNIAWKQ-CDRYSYESSA-N
InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3+,4+,5-,6-

HIDE SMILES / InChI

Molecular Formula C6H6Cl6
Molecular Weight 290.83
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

β-Hexachlorcyclohexane is a byproduct of the production of insecticide lindane (γ-hexachlorocyclohexane). Technical grade hexachlorocyclohexane contains about 5-12% of technical grade hexachlorocyclohecane. Elevated levels of β-Hexachlorcyclohexane in blood was linked with risk of Alzheimer's disease and Parkinson's disease. β-Hexachlorcyclohexane is a xenoestrogen and promotes growth and invasiveness of breast tumor cell lines.

CNS Activity

Originator

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
YM80ODM9PD
Record Status Validated (UNII)
Record Version