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Details

Stereochemistry ACHIRAL
Molecular Formula C12H2Cl8
Molecular Weight 429.768
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2',3,3',4,4',5,6'-OCTACHLOROBIPHENYL

SMILES

ClC1=CC(=C(Cl)C(Cl)=C1Cl)C2=C(Cl)C(Cl)=C(Cl)C=C2Cl

InChI

InChIKey=BQFCCUSDZLKBJG-UHFFFAOYSA-N
InChI=1S/C12H2Cl8/c13-4-2-6(15)9(17)11(19)7(4)3-1-5(14)10(18)12(20)8(3)16/h1-2H

HIDE SMILES / InChI

Molecular Formula C12H2Cl8
Molecular Weight 429.768
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
In silico prediction of pregnane X receptor activators by machine learning approaches.
2007-01
Environmental xenobiotics and the antihormones cyproterone acetate and spironolactone use the nuclear hormone pregnenolone X receptor to activate the CYP3A23 hormone response element.
1998-12
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:12:14 GMT 2025
Edited
by admin
on Mon Mar 31 22:12:14 GMT 2025
Record UNII
3W40E7L2DO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PCB 196
Preferred Name English
2,2',3,3',4,4',5,6'-OCTACHLOROBIPHENYL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID3074157
Created by admin on Mon Mar 31 22:12:14 GMT 2025 , Edited by admin on Mon Mar 31 22:12:14 GMT 2025
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FDA UNII
3W40E7L2DO
Created by admin on Mon Mar 31 22:12:14 GMT 2025 , Edited by admin on Mon Mar 31 22:12:14 GMT 2025
PRIMARY
CAS
42740-50-1
Created by admin on Mon Mar 31 22:12:14 GMT 2025 , Edited by admin on Mon Mar 31 22:12:14 GMT 2025
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PUBCHEM
39253
Created by admin on Mon Mar 31 22:12:14 GMT 2025 , Edited by admin on Mon Mar 31 22:12:14 GMT 2025
PRIMARY