ethoxyquin

Synonyms: "santoquin", "ethoxyquine", "santoquine", "niflex", "antioxidant EC", "santoflex A", "santoflex AW", "stop-scald"

Source: ethoxyquin is a quinoline-based antioxidant used as a food preservative and a pesticide.

Identifiers:

IUPAC Name: 6-ethoxy-2,2,4-trimethyl-1H-quinoline
CAS Number: 91-53-2
PubChem ID: 3293
InChiKey: DECIPOUIJURFOJ-UHFFFAOYSA-N
Canonical SMILES: CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C

Structural Properties:

Molecular Formula: C₁₄H₁₉NO
Molecular Weight: 217.307

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 16

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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

Kojima H, Katsura E, Takeuchi S, Niiyama K, Kobayashi K. 2004. Screening for estrogen and androgen receptor activities in 200 pesticides by in vitro reporter gene assays using Chinese hamster ovary cells. Environ Health Perspect 112(5):524-531.