bromuconazole

Identification (Source:EPA,EU)

ID 526
Name bromuconazole
CAS 116255-48-2
IUPAC
Inchi InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2
CIPAC 680
EPA Code 120503
Formula C13H12BrCl2N3O
SMILES BrC1CC(OC1)(c2c(Cl)cc(Cl)cc2)Cn3ncnc3
Status Approved

Classification

Mode of Action Systemic. Sterol biosynthesis inhibitor.
Pesticide Type Fungicide
Chemical Group Triazole (isomer mix)
Classification conazole fungicides (triazoles)

Properties (Source:PubChem)

Molecular Weight 377.06
Physical State White to beige powder
AlogP 3.181
H-Bond Donor 0
H-Bond Acceptor 3
Surface Area 299.51
Polar Surface Area 39.94

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 > 3.3 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.02 mg l-1
Aquatic invertebrates Acute 48 hour EC50 > 8.9 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.12 mg l-1
Birds Acute LD50 > 2150 mg kg-1
Birds Short term dietary LC50/LD50 > 5000 mg/kg feed
Earthworms Chronic 14 day NOEC, reproduction 18.6 mg kg-1
Earthworms Acute 14 day LD50 > 500 mg kg-1
Fish Acute 96 hour LC50 1.7 mg l-1
Fish Chronic 21 day NOEC 0.21 mg l-1
Honeybees Acute 48 hour LD50 > 100 μg bee-1
Mammals Acute oral LD50 328 mg kg-1
Mammals Short term dietary NOEL 20 ppm diet
Mammals Short term dietary NOEL 0.99 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 3.125 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.250 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 131

Related targets

Target Name RScore (About this table)
cytochrome P450 (protein family or complex) 81(1,1,1,1) Details
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