fenbuconazole

Identification (Source:EPA,EU)

ID 534
Name fenbuconazole
CAS 114369-43-6
IUPAC
Inchi InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2
CIPAC 694
EPA Code
Formula C19H17ClN4
SMILES Clc1ccc(cc1)CCC(C#N)(c2ccccc2)Cn3ncnc3
Status Approved

Classification

Mode of Action Systemic protectant and curative, acts by inhibiting sterol biosynthesis in fungi.
Pesticide Type Fungicide
Chemical Group Triazole
Classification conazole fungicides (triazoles)

Properties (Source:PubChem)

Molecular Weight 336.82
Physical State Colourless to off-white crystalline powder
AlogP 4.295
H-Bond Donor 0
H-Bond Acceptor 3
Surface Area 329.81
Polar Surface Area 54.5

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 Chronic 96 hour NOEC, growth 0.18 mg l-1
Algae Acute 72 hour EC50, growth 0.33 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.75 mg l-1
Aquatic invertebrates Acute 48 hour EC50 2.3 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.078 mg l-1
Birds Acute LD50 > 2150 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 39 mg kg-1
Earthworms Acute 14 day LD50 > 100 mg kg-1
Fish Acute 96 hour LC50 1.5 mg l-1
Fish Chronic 21 day NOEC 0.32 mg l-1
Honeybees Acute 48 hour LD50 > 5.2 μg bee-1
Mammals Acute oral LD50 > 2000 mg kg-1
Mammals Short term dietary NOEL > 1.4 mg kg-1
Mammals Short term dietary NOEL > 20 ppm diet
Sediment dwelling organisms Chronic 28 day NOEC, sediment 1.73 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 8.0 mg kg-1
Bio-concentration factor BCF 160
Bio-concentration factor CT50 1.4 days

Related targets

Target Name RScore (About this table)
thyroid peroxidase 31(0,1,1,1) Details
CD1 12(0,0,2,2) Details
cytochrome P450 (protein family or complex) 6(0,0,1,1) Details
CYP51 5(0,0,0,5) Details
Docunmentation of Network Visuallization

Network initializing...Please wait

Node List

ID Name Type

Legend:

: Current entry node; : Target node; : Compound node;