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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
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Description
Curator's Comment: description was created based on several sources, including http://www.medscape.com/viewarticle/706374 | https://www.ncbi.nlm.nih.gov/pubmed/12948864

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

Sources: Known to be CNS penetrant in rats, but much less penetrant than other hexachlorocyclohexane isomers. Human data not available.
Curator's Comment: https://www.ncbi.nlm.nih.gov/pubmed/6192170

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Metabolism of beta-hexachlorocyclohexane-14C in rats following low dosing in the daily diet.
1981
Novel estrogenic action of the pesticide residue beta-hexachlorocyclohexane in human breast cancer cells.
1996 Dec 1
Patents

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 00:46:11 GMT 2023
Edited
by admin
on Sat Dec 16 00:46:11 GMT 2023
Record UNII
YM80ODM9PD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-HEXACHLOROCYCLOHEXANE
Common Name English
BETA-BHC
Common Name English
.BETA.-LINDANE
Common Name English
.BETA.-BENZENE HEXACHLORIDE
Common Name English
BETA-HEXACHLOROCYCLOHEXANE
HSDB  
Common Name English
(±)-.BETA.-HEXACHLOROCYCLOHEXANE
Common Name English
BHC, .BETA.-
Common Name English
CYCLOHEXANE, 1,2,3,4,5,6-HEXACHLORO-, .BETA.-
Common Name English
.BETA.-1,2,3,4,5,6-HEXACHLOROCYCLOHEXANE
Common Name English
.BETA.-HEXACHLOROBENZENE
Common Name English
.BETA.-BHC
Common Name English
.BETA.-666
Common Name English
.BETA.-HEXACHLORAN
Common Name English
BETA-HEXACHLOROCYCLOHEXANE [HSDB]
Common Name English
.BETA.-HCH
Common Name English
Code System Code Type Description
CAS
319-85-7
Created by admin on Sat Dec 16 00:46:11 GMT 2023 , Edited by admin on Sat Dec 16 00:46:11 GMT 2023
PRIMARY
ECHA (EC/EINECS)
206-271-3
Created by admin on Sat Dec 16 00:46:11 GMT 2023 , Edited by admin on Sat Dec 16 00:46:11 GMT 2023
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HSDB
6183
Created by admin on Sat Dec 16 00:46:11 GMT 2023 , Edited by admin on Sat Dec 16 00:46:11 GMT 2023
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WIKIPEDIA
beta-Hexachlorocyclohexane
Created by admin on Sat Dec 16 00:46:11 GMT 2023 , Edited by admin on Sat Dec 16 00:46:11 GMT 2023
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SMS_ID
300000024096
Created by admin on Sat Dec 16 00:46:11 GMT 2023 , Edited by admin on Sat Dec 16 00:46:11 GMT 2023
PRIMARY
CHEBI
28428
Created by admin on Sat Dec 16 00:46:11 GMT 2023 , Edited by admin on Sat Dec 16 00:46:11 GMT 2023
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FDA UNII
YM80ODM9PD
Created by admin on Sat Dec 16 00:46:11 GMT 2023 , Edited by admin on Sat Dec 16 00:46:11 GMT 2023
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EPA CompTox
DTXSID7020685
Created by admin on Sat Dec 16 00:46:11 GMT 2023 , Edited by admin on Sat Dec 16 00:46:11 GMT 2023
PRIMARY