2-hydroxy-1,3,7,8-tetrachlorodibenzo-p-dioxin

Synonyms: "2-hydroxy-1,3,7,8-tetrachlorodibenzo-p-dioxin", "1,3,7,8-tetrachlorodibenzo-p-dioxin-2-ol", "2-hydroxy-1,3,7,8-TCDD", "1,3,7,8-tetrachlorodibenzo(b,e)(1,4)dioxin-2-ol", "1,3,7,8-tetrachloro-2-hydroxydibenzo-p-dioxin".

Source: 2-hydroxy-1,3,7,8-tetrachlorodibenzo-p-dioxin is a metabolite of 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD), which is an environmental pollutant produced as an unwanted by-product of various chemical reactions and combustion processes.

Identifiers:

IUPAC Name: 1,3,7,8-tetrachlorodibenzo-p-dioxin-2-ol
CAS Number: 82019-03-2
PubChem ID: 119546
InChiKey: AVQGXBBLQBJVDO-UHFFFAOYSA-N
Canonical SMILES: C1=C2C(=CC(=C1Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)O)Cl

Structural Properties:

Molecular Formula: C₁₂H₄Cl₄O₃
Molecular Weight: 337.961

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 19

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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

Kester MH, Bulduk S, van Toor H, Tibboel D, Meinl W, Glatt H, Falany CN, Coughtrie MW, Schuur AG, Brouwer A, Visser TJ. 2002. Potent inhibition of estrogen sulfotransferase by hydroxylated metabolites of polyhalogenated aromatic hydrocarbons reveals alternative mechanism for estrogenic activity of endocrine disrupters. J Clin Endocrinol Metab 87(3):1142-1150. DOI: 10.1210/jcem.87.3.8311. URL: https://academic.oup.com/jcem/article/87/3/1142/2846988.