p,p'-DDE

Synonyms: "dichlorodiphenyl dichloroethylene", "DDT dehydrochloride", "4,4'-DDE", "dichlorodiphenyldichloroethylene", "1,1-dichloro-2,2-bis(4-chlorophenyl)ethene"

Source: p,p'-DDE is the main metabolite of DDT, an organochlorine insecticide.

Identifiers:

IUPAC Name: 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
CAS Number: 72-55-9
PubChem ID: 3035
InChiKey: UCNVFOCBFJOQAL-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C(=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

Danzo BJ. 1997. Environmental xenobiotics may disrupt normal endocrine function by interfering with the binding of physiological ligands to steroid receptors and binding proteins. Environ Health Perspect 105(3):294-301.

Kojima H, Katsura E, Takeuchi S, Niiyama K, Kobayashi K. 2004. Screening for estrogen and androgen receptor activities in 200 pesticides by in vitro reporter gene assays using Chinese hamster ovary cells. Environ Health Perspect 112(5):524-531.

Orton F, Rosivatz E, Scholze M, Kortenkamp A. 2011. Widely used pesticides with previously unknown endocrine activity revealed as in vitro antiandrogens. Environ Health Perspect 119(6):794-800.

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.