beta-endosulfan

Synonyms: "endosulfan"

Source: beta-endosulfan is used as an insecticide on crops.

Identifiers:

IUPAC Name: 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine-3-oxide (beta isomer)
CAS Number: 33213-65-9
PubChem ID: 12309466
InChiKey: RDYMFSUJUZBWLH-MDBBVBRHSA-N
Canonical SMILES: C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₉H₆Cl₆O₃S
Molecular Weight: 406.925

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 19

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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

Abalis IM, Eldefrawi ME, Eldefrawi AT. 1985. High-affinity stereospecific binding of cyclodiene insecticides and gamma-hexachlorocyclohexane to gamma-aminobutyric acid receptors of rat brain. Pesticide Biochemistry & Physiology 24(1):95-102.

Jin L, Tran DQ, Ide CF, McLachlan JA, Arnold SF. 1997. Several synthetic chemicals inhibit progesterone receptor-mediated transactivation in yeast. Biochemical & Biophysical Research Communications 233(1):139-146.

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, Chung KL, Sonnenschein C. 1994. The pesticides endosulfan, toxaphene and dieldrin have estrogenic properties in human estrogen-sensitive cells. Environ Health Perspect 102(4):380-383.