U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H3Cl7
Molecular Weight 395.323
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

ClC1=CC(Cl)=C(C(Cl)=C1)C2=C(Cl)C(Cl)=CC(Cl)=C2Cl

InChI

InChIKey=MMTJWDQKGUNSDK-UHFFFAOYSA-N
InChI=1S/C12H3Cl7/c13-4-1-5(14)9(6(15)2-4)10-11(18)7(16)3-8(17)12(10)19/h1-3H

HIDE SMILES / InChI

Molecular Formula C12H3Cl7
Molecular Weight 395.323
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 22:12:15 GMT 2025
Edited
by admin
on Mon Mar 31 22:12:15 GMT 2025
Record UNII
47B96QG19H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PCB 188
Preferred Name English
2,2',3,4',5,6,6'-HEPTACHLOROBIPHENYL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID7074242
Created by admin on Mon Mar 31 22:12:15 GMT 2025 , Edited by admin on Mon Mar 31 22:12:15 GMT 2025
PRIMARY
CAS
74487-85-7
Created by admin on Mon Mar 31 22:12:15 GMT 2025 , Edited by admin on Mon Mar 31 22:12:15 GMT 2025
PRIMARY
FDA UNII
47B96QG19H
Created by admin on Mon Mar 31 22:12:15 GMT 2025 , Edited by admin on Mon Mar 31 22:12:15 GMT 2025
PRIMARY
PUBCHEM
91723
Created by admin on Mon Mar 31 22:12:15 GMT 2025 , Edited by admin on Mon Mar 31 22:12:15 GMT 2025
PRIMARY