dicofol

Synonyms: "kelthane", "acarin", "mitigan", "dichlorokelthane", "2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol", "DTMC", "kelthanethanol", "cekudifol"

Source: dicofol is an organochlorine pesticide that is chemically related to DDT.

Identifiers:

IUPAC Name: 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol
CAS Number: 115-32-2
PubChem ID: 8268
InChiKey: UOAMTSKGCBMZTC-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl

Structural Properties:

Molecular Formula: C₁₄H₉Cl₅O
Molecular Weight: 370.486

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
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

Ishihara A, Sawatsubashi S, Yamauchi K. 2003. Endocrine disrupting chemicals: interference of thyroid hormone binding to transthyretins and to thyroid hormone receptors. Mol Cell Endocrinol 199(1-2):105-117.

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.

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.

Vinggaard AM, Hnida C, Breinholt V, Larsen JC. 2000. Screening of selected pesticides for inhibition of CYP19 aromatase activity in vitro. Toxicol in Vitro 14(3):227-234.

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.