p,p'-DDD

Synonyms: "dichlorodiphenyldichloroethane", "rhothane", "tetrachlorodiphenylethane", "dilene", "p,p'-TDE", "1,1-dichloro-2,2-bis(p-chlorophenyl)ethane"

Source: p,p'-DDD is a metabolite of the insecticide DDT.

Identifiers:

IUPAC Name: 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
CAS Number: 72-54-8
PubChem ID: 6294
InChiKey: AHJKRLASYNVKDZ-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₄H₁₀Cl₄
Molecular Weight: 320.041

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

Klotz DM, Beckman BS, Hill SM, McLachlan JA, Walters MR, Arnold SF. 1996. Identification of environmental chemicals with estrogenic activity using a combination of in vitro assays. Environ Health Perspect 104(10):1084-1089.

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.

Van den Berg KJ, van Raaij JAGM, Bragt PC, Notten WRF. 1991. Interactions of halogenated industrial chemicals with transthyretin and effects on thyroid hormone levels in vivo. Arch Toxicol 65(1):15-19.