fenarimol

Identification (Source:EPA,EU)

ID 679
Name fenarimol
CAS 60168-88-9
IUPAC
Inchi InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H
CIPAC 380
EPA Code 206600
Formula C17H12Cl2N2O
SMILES Clc1ccc(cc1)C(O)(c2ccccc2Cl)c3cncnc3
Status Not Approved

Classification

Mode of Action Systemic, curative and protective action. Disrupts membrane function.
Pesticide Type Fungicide
Chemical Group Pyrimidine
Classification pyrimidine fungicides

Properties (Source:PubChem)

Molecular Weight 331.20
Physical State Off-white crystals
AlogP 3.827
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 301.3
Polar Surface Area 46.01

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 1.48 mg l-1
Algae Chronic 96 hour NOEC, growth 0.1 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.113 mg l-1
Aquatic invertebrates Acute 48 hour EC50 6.8 mg l-1
Birds Acute LD50 > 2000 mg kg-1
Birds Short term dietary LC50/LD50 > 6250 mg/kg feed
Earthworms Acute 14 day LD50 > 250 mg kg-1
Fish Chronic 21 day NOEC 0.43 mg l-1
Fish Acute 96 hour LC50 4.1 mg l-1
Honeybees Acute 48 hour LD50 > 10 μg bee-1
Mammals Acute oral LD50 2500 mg kg-1
Mammals Short term dietary NOEL > 25 ppm diet
Mammals Short term dietary NOEL > 1.1 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.625 mg kg-1
Sediment dwelling organisms Acute 96 hour LC50 1.45 mg l-1
Bio-concentration factor BCF 113
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
androgen receptors 326(4,4,4,6) Details
demethylase 168(2,2,2,8) Details
estrogen receptors 99(1,1,2,14) Details
cytochrome P450 (protein family or complex) 96(0,3,3,6) Details
CYP19 37(0,1,1,7) Details
PMR1 37(0,1,1,7) Details
cytochrome P450 monooxygenase 33(0,1,1,3) Details
glutathione transferase 32(0,1,1,2) Details
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