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

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