hexachlorophene

Synonyms: "hexachlorofen", "hexachlorophen", "gamophen", "septisol", "turgex", "pHisoHex", "hexachlorophane", "almederm"

Source: hexachlorophene is very useful as a topical anti-infective, anti-bacterial agent, often used in soaps and toothpaste.

Identifiers:

IUPAC Name: 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol
CAS Number: 70-30-4
PubChem ID: 3598
InChiKey: ACGUYXCXAPNIKK-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl

Structural Properties:

Molecular Formula: C₁₃H₆Cl₆O₂
Molecular Weight: 406.904

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 21

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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

Van den Berg KJ, van Raaij JAGM, Bragt PC, Notten WRF. 1991. Interactions of halogenated industrial chemicals with transthyretin and effects on thyroid hormone levels in vivo. Arch Toxicol 65(1):15-19.

van den Berg KJ. 1990. Interaction of chlorinated phenols with thyroxine binding sites of human transthyretin, albumin and thyroid binding globulin. Chem Biol Interact 76(1):63-75.