hexaconazole

Synonyms: "hexaconazol", "contaf", "sitara", "anvil", "chlortriafol"

Source: hexaconazole is a broad-spectrum, systemic fungicide with eradicant and protectant activity against a wide range of plant pathogens.

Identifiers:

IUPAC Name: 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol
CAS Number: 79983-71-4
PubChem ID: 66461
InChiKey: STMIIPIFODONDC-UHFFFAOYSA-N
Canonical SMILES: CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O

Structural Properties:

Molecular Formula: C₁₄H₁₇Cl₂N₃O
Molecular Weight: 314.210

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 20

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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

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.