endosulfan sulfate

Synonyms: "1,4,5,6,7,7-hexachloro-5-norbornene-2,3-dimethanol", "cyclic sulfate"

Source: endosulfan sulfate is a persistent environmental metabolite of endosulfan, an organochlorine insecticide.

Identifiers:

IUPAC Name: 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro- 6,9-methano-2,4,3-benzodioxathiepin-3,3-dioxide
CAS Number: 1031-07-8
PubChem ID: 13940
InChiKey: AAPVQEMYVNZIOO-UHFFFAOYSA-N
Canonical SMILES: C1C2C(COS(=O)(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₉H₆Cl₆O₄S
Molecular Weight: 422.925

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 20

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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

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.

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.