o,p'-DDE

Synonyms: "2,2-(2-chlorophenyl-4'-chlorophenyl)-1,1-dichloroethene", "2,4'-DDE", "1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene"

Source: o,p'-DDE is a persistent derivative or metabolite of DDT, an organochlorine insecticide.

Identifiers:

IUPAC Name: 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
CAS Number: 3424-82-6
PubChem ID: 246598
InChiKey: ZDYJWDIWLRZXDB-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C(=C1)C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl

Structural Properties:

Molecular Formula: C14H8Cl4
Molecular Weight: 318,025

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 18

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

GENE-TOX

CTD (Comparative Toxicogenomics Database)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Bitman J, Cecil HC, Harris SJ, Feil VJ. 1978. Estrogenic activity of o,p'-DDT metabolites and related compounds. J Agric Food Chem 26(1):149-151.
Kramer VJ, Giesy JP. 1999. Specific binding of hydroxylated polychlorinated biphenyl metabolites and other substances to bovine calf uterine estrogen receptor: structure-binding relationships. Sci Total Environ 233(1-3):141-161.
Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G. 2004. Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Anal Bioanal Chem 378(3):664-669.
Soto AM, Sonnenschein C, Chung KL, Fernandez MF, Olea N, Serrano FO. 1995. The E-SCREEN assay as a tool to identify estrogens: An update on estrogenic environmental pollutants. Environ Health Perspect 103 (Suppl. 7):113-122.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer