2,2',3',4,4',5,5'-heptachloro-3-biphenylol

Synonyms: "3-hydroxy-2,2',3',4,4',5,5'-heptachlorobiphenyl", "2,2',3,4,4',5,5'-heptachloro-3'-hydroxy-1,1'-biphenyl", "3'-hydroxy-PCB 180", "2,2',3',4,4',5,5'-heptachlorobiphenyl-3-ol", "2,3,6-trichloro-5-(2,3,4,5-tetrachlorophenyl)phenol".

Source: 2,2',3',4,4',5,5'-heptachloro-3-biphenylol belongs to the hydroxylated metabolites of polychlorinated biphenyls (OH-PCBs).

Identifiers:

IUPAC Name: 2,3,6-trichloro-5-(2,3,4,5-tetrachlorophenyl)phenol
CAS Number: 158076-69-8
PubChem ID: 644183
InChiKey: JCUBQOKFGUXHFL-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)O)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₃Cl₇O
Molecular Weight: 411.305

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 20

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3D structure (.mol2)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Kester MH, Bulduk S, Tibboel D, Meinl W, Glatt H, Falany CN, Coughtrie MW, Bergman A, Safe SH, Kuiper GG, Schuur AG, Brouwer A, Visser TJ. 2000 . Potent inhibition of estrogen sulfotransferase by hydroxylated PCB metabolites: a novel pathway explaining the estrogenic activity of PCBs. Endocrinology 141(5):1897?1900. DOI: 10.1210/endo.141.5.7530. URL: https://academic.oup.com/endo/article/141/5/1897/2988537.