ioxynil

Synonyms: "4-hydroxy-3,5-diiodobenzonitrile", "actril", "actrilawn", "bentrol", "benzonitrile", "certrol", "cipotril", "joxynil", "trevespan"

Source: Ioxynil is a widely used pesticide.

Identifiers:

IUPAC Name: 4-hydroxy-3,5-diiodobenzonitrile
CAS Number: 1689-83-4
PubChem ID: 15530
InChiKey: NRXQIUSYPAHGNM-UHFFFAOYSA-N
Canonical SMILES: C1=C(C=C(C(=C1I)O)I)C#N

Structural Properties:

Molecular Formula: C₇H₃I₂NO
Molecular Weight: 370.914

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 11

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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

Ishihara A, Sawatsubashi S, Yamauchi K. 2003. Endocrine disrupting chemicals: interference of thyroid hormone binding to transthyretins and to thyroid hormone receptors. Mol Cell Endocrinol 199(1-2):105-117.

Ogilvie LM, Ramsden DB. 1988. Ioxynil and 3,5,3'-triiodothyronine: Comparison of binding to human plasma proteins. Toxicol Lett 44(3):281-287.