triadimenol

Identification (Source:EPA,EU)

ID 553
Name triadimenol
CAS 55219-65-3
IUPAC
Inchi InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3
CIPAC 398
EPA Code 127201
Formula C14H18ClN3O2
SMILES Clc2ccc(OC(n1ncnc1)C(O)C(C)(C)C)cc2
Status Approved

Classification

Mode of Action Selective with curative, protective and eradicant action. Disrupts membrane function.
Pesticide Type Fungicide
Chemical Group Triazole (isomer mix)
Classification conazole fungicides (triazoles)

Properties (Source:PubChem)

Molecular Weight 295.76
Physical State Colourless crystals
AlogP 3.247
H-Bond Donor 1
H-Bond Acceptor 4
Surface Area 299.83
Polar Surface Area 60.17

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 1 mg l-1
Algae Acute 72 hour EC50, growth 9.6 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.1 mg l-1
Aquatic invertebrates Acute 48 hour EC50 51 mg l-1
Birds Acute LD50 > 2000 mg kg-1
Birds Short term dietary LC50/LD50 > 705 mg/kg bw/day
Earthworms Acute 14 day LD50 > 390.5 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 100 mg kg-1
Fish Acute 96 hour LC50 21.3 mg l-1
Fish Chronic 21 day NOEC 3.13 mg l-1
Honeybees Acute 48 hour LD50 > 200 μg bee-1
Mammals Acute oral LD50 721 mg kg-1
Mammals Short term dietary NOEL > 8 mg kg-1
Mammals Short term dietary NOEL > 125 ppm diet
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.667 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.1 mg kg-1
Bio-concentration factor CT50 0.42 days
Bio-concentration factor BCF 21

Related targets

Target Name RScore (About this table)
sterol 14 alpha demethylase 217(2,3,5,17) Details
dopamine transporter 162(2,2,2,2) Details
11 beta HSD1 81(1,1,1,1) Details
demethylase 68(0,2,2,8) Details
cytochrome P450 (protein family or complex) 35(0,1,1,5) Details
cytochrome P450 monooxygenase 31(0,1,1,1) Details
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