CAS 1398065-92-3 (+/-)-Imazalil-[d5] Sulfate

General Information
Catalog: BLP-001627
CAS: 1398065-92-3
Molecular Formula: C14H11D5Cl2N2O5S
Molecular Weight: 400.28

General Information

Catalog: BLP-001627

CAS: 1398065-92-3

Molecular Formula: C14H11D5Cl2N2O5S

Molecular Weight: 400.28

Chemical Structure

Description	(+/-)-Imazalil-[d5] Sulfate, is the labelled analogue of Imazalil. Imazalil, is a fungicide widely used in agriculture, particularly in the growing of citrus fruits.
Synonyms	Imazalil-d5 Sulfate; 1-[2-(2,4-Dichlorophenyl)-2-[2-(propen-1-yl-d5)oxy]ethyl]-1H-imidazole Sulfate; 1-[2-(2,4-Dichlorophenyl)-2-[2-(propenyl-d5)oxy]ethyl]-1H-imidazole Sulfate; Chloramizol-d5 Sulfate; Microban Additive IF 4-d5; R 27180-d5
IUPAC Name	1-[2-(2,4-dichlorophenyl)-2-(1,1,2,3,3-pentadeuterioprop-2-enoxy)ethyl]imidazole;sulfuric acid
Related CAS	58594-72-2 (unlabelled)
Canonical SMILES	C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl.OS(=O)(=O)O
InChI	InChI=1S/C14H14Cl2N2O.H2O4S/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16;1-5(2,3)4/h2-6,8,10,14H,1,7,9H2;(H2,1,2,3,4)/i1D2,2D,7D2;
InChI Key	XVTXMTOYQVRHSK-XXANSLCBSA-N
Melting Point	129-131°C
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Chloroform, Methanol, Water
Appearance	White to Off-white Solid
Storage	Store at -20°C, under inert atmosphere

(+/-)-Imazalil-[d5] Sulfate is a labeled fungicide derivative commonly used in research and industry for various applications. Here are some key applications of (+/-)-Imazalil-[d5] Sulfate:

Pharmacokinetics Studies: (+/-)-Imazalil-[d5] Sulfate is utilized in pharmacokinetic studies to trace the absorption, distribution, metabolism, and excretion (ADME) of fungicides. By using the labeled compound, researchers can accurately quantify the behavior of the fungicide in biological systems. This data is crucial for understanding the efficacy and safety profile of the fungicide in both human and environmental contexts.

Residue Analysis: This labeled compound is frequently used in residue analysis to detect and quantify fungicide residues in agricultural products and environmental samples. The presence of the deuterium label allows for precise differentiation and measurement using mass spectrometry techniques. This helps ensure food safety and regulatory compliance by monitoring residue levels in produce.

Mechanism of Action Studies: (+/-)-Imazalil-[d5] Sulfate is employed in mechanistic studies to investigate the mode of action of imazalil fungicides. By studying how this labeled version interacts with fungal cells, researchers can gain insights into its antifungal properties and resistance mechanisms. This understanding is essential for improving existing fungicides and developing new, more effective antifungal agents.

Environmental Fate Studies: Researchers use (+/-)-Imazalil-[d5] Sulfate in environmental fate studies to track and model the behavior of the fungicide in soil and water systems. The labeled compound helps in monitoring the degradation, persistence, and movement of fungicides in the environment. This information is critical for assessing the environmental impact of fungicides and informing regulatory decisions.