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Epoxiconazole

CAT: 0804-HY-119683-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-119683-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Epoxiconazole, a fungicide, is a demethylation inhibitor of the Ergosterol biosynthesis pathway. Epoxiconazole exhibits strong inhibitory effects on both carbendazim-resistant and phenamacril-resistant isolates, and can be used for controlling many crop diseases[1].
CAS Number
133855-98-8
UNSPSC
12352005
Hazard Statement
H351, H411
Target
Apoptosis; Fungal
Type
Reference compound
Related Pathways
Anti-infection; Apoptosis
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/epoxiconazole.html
Purity
98.95
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
FC1=CC=C(C=C1)[C@]2(O[C@@H]2C3=CC=CC=C3Cl)CN4N=CN=C4
Molecular Formula
C17H13ClFN3O
Molecular Weight
329.76
Precautions
H351, H411
References & Citations
[1]Yabing Duan, et al. Impact of Epoxiconazole on Fusarium Head Blight Control, Grain Yield and Deoxynivalenol Accumulation in Wheat. Pestic Biochem Physiol. 2018 Nov;152:138-147.|[2]Hamdi H, et al., Neuroprotective effects of Myricetin on Epoxiconazole-induced toxicity in F98 cells. Free Radic Biol Med. 2021 Feb 20;164:154-163.|[3]Sun W, et al., Combined ingestion of polystyrene microplastics and epoxiconazole increases health risk to mice: Based on their synergistic bioaccumulation in vivo. Environ Int. 2022 Aug;166:107391.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Epoxiconazole

Epoxiconazole can cause cancer according to The Environmental Protection Agency (EPA).

CAS Number133855-98-8
PubChem CID107901
IUPAC Name1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
Molecular FormulaC17H13ClFN3O
Molecular Weight329.8
XLogP3.2
Topological Polar Surface Area43.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity421
SMILES
C1=CC=C(C(=C1)[C@@H]2[C@@](O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl
InChI
InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m1/s1
InChIKey
ZMYFCFLJBGAQRS-IAGOWNOFSA-N
Chemical Structure
2D Structure
2D structure of Epoxiconazole
CAS: 133855-98-8
CID: 107901
Formula: C17H13ClFN3O
MW: 329.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.8
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass329.0731179
Monoisotopic Mass329.0731179
Topological Polar Surface Area43.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity421
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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