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

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

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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.