epoxiconazole

Identification (Source:EPA,EU)

ID 532
Name epoxiconazole
CAS 133855-98-8 (formerly 106325-08-0)
IUPAC
Inchi InChI=1S/2C17H13ClFN3O/c2*18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h2*1-8,10-11,16H,9H2/t2*16-,17-/m10/s1
CIPAC 609
EPA Code 123909
Formula C17H13ClFN3O
SMILES Fc1ccc(cc1)C3(OC3c2ccccc2Cl)Cn4ncnc4
Status Approved

Classification

Mode of Action Preventative and curative action
Pesticide Type Fungicide
Chemical Group Triazole
Classification conazole fungicides (triazoles)

Properties (Source:PubChem)

Molecular Weight 329.76
Physical State Colourless crystalline solid
AlogP 3.434
H-Bond Donor 0
H-Bond Acceptor 3
Surface Area 291.82
Polar Surface Area 43.24

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Acute 72 hour EC50, growth 1.19 mg l-1
Algae Chronic 96 hour NOEC, growth 0.0078 mg l-1
Aquatic invertebrates Acute 48 hour EC50 8.69 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.63 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.014 mg l-1
Birds Acute LD50 > 2000 mg kg-1
Birds Short term dietary LC50/LD50 > 907 mg/kg bw/day
Earthworms Acute 14 day LD50 > 500 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 0.084 mg kg-1
Fish Chronic 21 day NOEC 0.01 mg l-1
Fish Acute 96 hour LC50 3.14 mg l-1
Honeybees Acute 48 hour LD50 > 83 μg bee-1
Mammals Acute oral LD50 3160 mg kg-1
Mammals Short term dietary NOEL 7.5 mg kg-1
Mammals Short term dietary NOEL 90 ppm diet
Sediment dwelling organisms Acute 96 hour LC50 0.0625 mg l-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.0625 mg kg-1
Bio-concentration factor CT50 0.72 days
Bio-concentration factor BCF 70

Related targets

Target Name RScore (About this table)
demethylase 33(0,1,1,3) Details
C18 14(0,0,2,4) Details
CYP51 8(0,0,0,8) Details
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