o,p'-DDT

Synonyms: "2-(2-chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane", "2,4'-DDT", "ortho,para'-DDT"

Source: o,p' -DDT is a minor component in commercial DDT, an organochlorine insecticide.

Identifiers:

IUPAC Name: 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
CAS Number: 789-02-6
PubChem ID: 13089
InChiKey: CVUGPAFCQJIYDT-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₄H₉Cl₅
Molecular Weight: 354.486

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 19

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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.

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.

vom Saal FS, Nagel SC, Palanza P, Boechler M, Parmigiani S, Welshons WV. 1995. Estrogenic pesticides: Binding relative to estradiol in MCF-7 cells and effects of exposure during fetal life on subsequent territorial behavior in male mice. Toxicol Lett 77(1-3):343-350.