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Details

Stereochemistry ACHIRAL
Molecular Formula C12H6Br4O
Molecular Weight 485.791
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2',4,5'-TETRABROMODIPHENYL ETHER

SMILES

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

InChI

InChIKey=QWVDUBDYUPHNHY-UHFFFAOYSA-N
InChI=1S/C12H6Br4O/c13-7-2-4-11(10(16)5-7)17-12-6-8(14)1-3-9(12)15/h1-6H

HIDE SMILES / InChI

Molecular Formula C12H6Br4O
Molecular Weight 485.791
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Structure-activity relationships of 44 halogenated compounds for iodotyrosine deiodinase-inhibitory activity.
2013 Dec 6
Structure-dependent activities of hydroxylated polybrominated diphenyl ethers on human estrogen receptor.
2013 Jul 5
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:33:42 GMT 2023
Edited
by admin
on Sat Dec 16 09:33:42 GMT 2023
Record UNII
D24364111Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2',4,5'-TETRABROMODIPHENYL ETHER
Common Name English
BENZENE, 1,4-DIBROMO-2-(2,4-DIBROMOPHENOXY)-
Systematic Name English
PBDE 49
Common Name English
Code System Code Type Description
FDA UNII
D24364111Z
Created by admin on Sat Dec 16 09:33:42 GMT 2023 , Edited by admin on Sat Dec 16 09:33:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID90873927
Created by admin on Sat Dec 16 09:33:42 GMT 2023 , Edited by admin on Sat Dec 16 09:33:42 GMT 2023
PRIMARY
PUBCHEM
15509892
Created by admin on Sat Dec 16 09:33:42 GMT 2023 , Edited by admin on Sat Dec 16 09:33:42 GMT 2023
PRIMARY
CAS
243982-82-3
Created by admin on Sat Dec 16 09:33:42 GMT 2023 , Edited by admin on Sat Dec 16 09:33:42 GMT 2023
PRIMARY