metconazole

Identification (Source:EPA,EU)

ID 543
Name metconazole
CAS 125116-23-6
IUPAC
Inchi InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3
CIPAC 706
EPA Code 125619
Formula C17H22ClN3O
SMILES Clc1ccc(cc1)CC2C(O)(C(CC2)(C)C)Cn3ncnc3
Status Approved

Classification

Mode of Action Systemic, ergosterol biosynthesis inhibitor
Pesticide Type Fungicide
Chemical Group Triazole
Classification conazole fungicides (triazoles)

Properties (Source:PubChem)

Molecular Weight 319.83
Physical State Off-white crystals
AlogP 3.579
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 317.87
Polar Surface Area 50.94

Structure



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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 1.7 mg l-1
Aquatic invertebrates Acute 48 hour EC50 4.2 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.16 mg l-1
Birds Acute LD50 787 mg kg-1
Birds Short term dietary LC50/LD50 167.9 mg/kg bw/day
Earthworms Acute 14 day LD50 > 500 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 0.9 mg kg-1
Fish Acute 96 hour LC50 2.1 mg l-1
Fish Chronic 21 day NOEC 1.14 mg l-1
Honeybees Acute 48 hour LD50 85 μg bee-1
Mammals Acute oral LD50 595 mg kg-1
Mammals Short term dietary NOEL 4 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 2.12 mg kg-1
Bio-concentration factor CT50 1 days
Bio-concentration factor BCF 129
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