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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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

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.