dinoseb

Synonyms: "2-sec-butyl-4,6-dinitrophenol", "basanite", "dibutox", "gebutox", "hivertox", "kiloseb", "phenotan", "butaphene", "DNBP"

Source: dinoseb is a herbicide in the dinitrophenol family.

Identifiers:

IUPAC Name: 2-butan-2-yl-4,6-dinitrophenol
CAS Number: 88-85-7 (dinoseb) / 89396-94-1 (2-butan-2-yl-4,6-dinitrophenol) /
PubChem ID: 6950
InChiKey: OWZPCEFYPSAJFR-UHFFFAOYSA-N
Canonical SMILES: CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]

Structural Properties:

Molecular Formula: C10H12N2O5
Molecular Weight: 240.213

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 5
Number of atoms different from hydrogen: 17

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3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
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Linder RE, Strader LF, Slott VL, Suarez JD. 1992. Endpoints of spermatotoxicity in the rat after short duration exposures to fourteen reproductive toxicants. Reprod Toxicol 6(6):491-505.

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.

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