epoxiconazole

Synonyms: "1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole"

Source: epoxiconazole is a broad-spectrum systemic fungicide used to control a wide range of fungal diseases.

Identifiers:

IUPAC Name: 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
CAS Number: 133855-98-8 (formerly 106325-08-0)
PubChem ID: 3317081
InChiKey: ZMYFCFLJBGAQRS-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C(=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl

Structural Properties:

Molecular Formula: C₁₇H₁₃ClFN₃O
Molecular Weight: 329.756

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 3
Number of atoms different from hydrogen: 23

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Grote K, Niemann L, Selzsam B, Haider W, Gericke C, Herzler M, Chahoud I. 2008. Epoxiconazole causes changes in testicular histology and sperm production in the Japanese quail (Coturnix coturnix japonica). Environ Toxicol Chem 27(11):2368-2374.

Taxvig C, Hass U, Axelstad M, Dalgaard M, Boberg J, Andeasen HR, Vinggaard AM. 2007. Endocrine-disrupting activities in vivo of the fungicides tebuconazole and epoxiconazole. Toxicol Sci 100(2):464-473.

Taxvig C, Vinggaard AM, Hass U, Axelstad M, Metzdorff S, Nellemann C. 2008. Endocrine-disrupting properties in vivo of widely used azole fungicides. Int J Androl 31(2):170-176.

Trosken ER, Adamska M, Arand M, Zarn JA, Patten C, Volkel W, Lutz WK. 2006. Comparison of lanosterol-14 alpha-demethylase (CYP51) of human and Candida albicans for inhibition by different antifungal azoles. Toxicology 228(1):24-32.