Synonyms: "1,3,8-trichloro-6-methyl-dibenzofuran", "6-MCDF", "MCDF"

Source: 6-methyl-1,3,8-trichlorodibenzofuran is related to the industrial byproduct dioxin.


IUPAC Name: 1,3,8-trichloro-6-methyldibenzofuran
CAS Number: 118174-38-2
PubChem ID: 114900
Canonical SMILES: CC1=C2C(=CC(=C1)Cl)C3=C(C=C(C=C3O2)Cl)Cl

Structural Properties:

Molecular Formula: C13H7Cl3O
Molecular Weight: 285,553

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 17


2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Astroff B, Eldridge B, Safe S. 1991. Inhibition of the 17 beta-estradiol-induced and constitutive expression of the cellular protooncogene c-fos by 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) in the female rat uterus. Toxicol Lett 56(3):305-315.
Astroff B, Safe S. 1988. Comparative antiestrogenic activities of 2,3,7,8-tetrachlorodibenzo-p-dioxin and 6-methyl-1,3,8-trichlorodibenzofuran in the female rat. Toxicol Appl Pharmacol 95(3):435-443.
Harper N, Wang X, Liu H, Safe S. 1994. Inhibition of estrogen-induced progesterone receptor in MCF-7 human breast cancer cells by aryl hydrocarbon (Ah) receptor agonists. Molecular & Cellular Endocrinology 104(1):47-55.
Zacharewski T, Harris M, Biegel L, Morrison V, Merchant M, Safe S. 1992. 6-Methyl-1,3,8-trichlorodibenzofuran (MCDF) as an antiestrogen in human and rodent cancer cell lines: evidence for the role of the Ah receptor. Toxicol Appl Pharmacol 113(2):311-318.

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