Molecular Identity
Propiconazole
1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
PubChem CID: 43234
Propiconazole is the cyclic ketal obtained by formal condensation of 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone with pentane-1,2-diol. A triazole fungicide, it is used commercially as a diastereoisomeric mixture on soft fruit (including apricots, peaches, nectarines, plums and prunes), nuts (including peanuts, pecans and almonds), mushrooms, and grasses grown for seeds. It has a role as a xenobiotic, an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor, an environmental contaminant and an antifungal agrochemical. It is a dichlorobenzene, a member of triazoles, a cyclic ketal, a conazole fungicide and a triazole fungicide.
2D Structure
Properties
C15H17Cl2N3O2
Molecular Formula
342.20
Molecular Weight
g/mol
341.0698
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
49.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
377
Complexity
SMILES
Canonical SMILES
SMILES: CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)ClIsomeric SMILES
SMILES: CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)ClSynonyms(20)
PROPICONAZOLE60207-90-1DesmelBannerOrbitBamperCGA-64250PropimaxWocosin1-((2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazoleDTXSID8024280CGD 92710F1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole142KW8TBSR1-[[2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Propiconazole
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