chlordecone

Synonyms: "kepone", "clordecone", "merex", "decachloroketone"

Source: chlordecone is a synthetic organochlorine compound which has mainly been used as an agricultural insecticide.

Identifiers:

IUPAC Name: decachloropentacyclo[5.3.0.0^2,6.0^3,9.0^4,8]decan-5-one
CAS Number: 143-50-0
PubChem ID: 299
InChiKey: LHHGDZSESBACKH-UHFFFAOYSA-N
Canonical SMILES: C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₀Cl₁₀O
Molecular Weight: 490.636

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 21

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

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.

Vonier PM, Crain DA, McLachlan JA, Guillette LJ Jr., Arnold SF. 1996. Interaction of environmental chemicals with the estrogen and progesterone receptors from the oviduct of the American alligator. Environ Health Perspect 104(12):1318-1322.