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Details

Stereochemistry ACHIRAL
Molecular Formula C12H5Br5O
Molecular Weight 564.688
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2',4,4',6-PENTABROMODIPHENYL ETHER

SMILES

BrC1=CC=C(OC2=C(Br)C=C(Br)C=C2Br)C(Br)=C1

InChI

InChIKey=NSKIRYMHNFTRLR-UHFFFAOYSA-N
InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H

HIDE SMILES / InChI

Molecular Formula C12H5Br5O
Molecular Weight 564.688
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 vivo and in vitro anti-androgenic effects of DE-71, a commercial polybrominated diphenyl ether (PBDE) mixture.
2005 Aug 22
Tissue disposition, excretion and metabolism of 2,2',4,4',6-pentabromodiphenyl ether (BDE-100) in male Sprague-Dawley rats.
2006 Jan
Interactions of polybrominated diphenyl ethers with the aryl hydrocarbon receptor pathway.
2006 Jul
In vitro profiling of the endocrine-disrupting potency of brominated flame retardants.
2006 Jul
Environmental contaminants activate human and polar bear (Ursus maritimus) pregnane X receptors (PXR, NR1I2) differently.
2015 Apr 1
Primary role of cytochrome P450 2B6 in the oxidative metabolism of 2,2',4,4',6-pentabromodiphenyl ether (BDE-100) to hydroxylated BDEs.
2015 Apr 20
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:10:02 GMT 2023
Edited
by admin
on Sat Dec 16 00:10:02 GMT 2023
Record UNII
YW2W2K0A6U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2',4,4',6-PENTABROMODIPHENYL ETHER
Common Name English
BENZENE, 1,3,5-TRIBROMO-2-(2,4-DIBROMOPHENOXY)-
Systematic Name English
PBDE 100
Common Name English
Code System Code Type Description
CHEBI
138065
Created by admin on Sat Dec 16 00:10:02 GMT 2023 , Edited by admin on Sat Dec 16 00:10:02 GMT 2023
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PUBCHEM
154083
Created by admin on Sat Dec 16 00:10:02 GMT 2023 , Edited by admin on Sat Dec 16 00:10:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID4052689
Created by admin on Sat Dec 16 00:10:02 GMT 2023 , Edited by admin on Sat Dec 16 00:10:02 GMT 2023
PRIMARY
FDA UNII
YW2W2K0A6U
Created by admin on Sat Dec 16 00:10:02 GMT 2023 , Edited by admin on Sat Dec 16 00:10:02 GMT 2023
PRIMARY
CAS
189084-64-8
Created by admin on Sat Dec 16 00:10:02 GMT 2023 , Edited by admin on Sat Dec 16 00:10:02 GMT 2023
PRIMARY