2-hydroxy-3,7,8-trichlorodibenzo-p-dioxin

Synonyms: "2-hydroxy-3,7,8-trichlorodibenzo-4-dioxin", "3,7,8-trichlorodibenzo(b,e)(1,4)dioxin-2-ol", "3,7,8-trichlorooxanthren-2-ol", "8-OH-2,3,7-TriCDD", "3,7,8-trichlorodibenzo-p-dioxin-2-ol", "2-hydroxy-3,7,8-trichloro dibenzo-p-dioxine".

Source: 2-hydroxy-3,7,8-trichlorodibenzo-p-dioxin has been identified as a major urinary metabolite of 2,3,7,8-TCDD.

Identifiers:

IUPAC Name: 3,7,8-trichlorodibenzo-p-dioxin-2-ol
CAS Number: 82019-04-3
PubChem ID: 119141
InChiKey: PMDIZNYHSROIKW-UHFFFAOYSA-N
Canonical SMILES: C1=C2C(=CC(=C1O)Cl)OC3=CC(=C(C=C3O2)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₅Cl₃O₃
Molecular Weight: 303.519

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 18

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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

Mason G, Safe S. 1986. Synthesis, biologic and toxic effects of the major 2,3,7,8-tetrachlorodibenzo-p-dioxin metabolites in the rat. Toxicology 41(2):153-159. DOI: 10.1016/0300-483X(86)90196-4. URL: https://www.sciencedirect.com/science/article/pii/0300483X86901964.