2-tert-butylanthraquinone

Synonyms: "2-tert-butylanthraquinone","2-(tert-butyl)anthracene-9,10-dione", "2-tert-butyl-9,10-anthraquinone", "2-tert-butylanthracene-9,10-dione", "beta-tert-butylanthraquinone", "2-t-butylanthraquinone", "2-tert-butyl anthraquinone".

Source: 2-tert-Butylanthraquinone is an intermediate for the synthesis of colorants. It is also used as a catalyst for the production of peroxide compounds.

Identifiers:

IUPAC Name: 2-tert-butylanthracene-9,10-dione
CAS Number: 84-47-9
PubChem ID: 66532
InChiKey: YTPSFXZMJKMUJE-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Structural Properties:

Molecular Formula: C₁₈H₁₆O₂
Molecular Weight: 264.324

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 20

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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TEDX List of Potential Endocrine Disruptors

Araki N, Ohno K, Nakai M, Takeyoshi M, Iida M. 2005. Screening for androgen receptor activities in 253 industrial chemicals by in vitro reporter gene assays using AR-EcoScreen cells. Toxicol In Vitro 19(6):831-842. DOI: 10.1016/j.tiv.2005.04.009. URL: http://www.sciencedirect.com/science/article/pii/S0887233305000706?via%3Dihub.