metrafenone

Identification (Source:EPA,EU)

ID 490
Name metrafenone
CAS 220899-03-6
IUPAC 3′-bromo-2,3,4,6′-tetramethoxy-2′,6-dimethylbenzophenone
Inchi InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3
CIPAC 752
EPA Code 000325
Formula C19H21BrO5
SMILES Brc2ccc(OC)c(C(=O)c1c(cc(OC)c(OC)c1OC)C)c2C
Status Approved

Classification

Mode of Action Protective and curative action. Interferes with hyphal morphogenesis.
Pesticide Type Fungicide
Chemical Group Benzophenone
Classification aryl phenyl ketone fungicides

Properties (Source:PubChem)

Molecular Weight 409.3
Physical State White crystalline solid
AlogP 4.889
H-Bond Donor 0
H-Bond Acceptor 5
Surface Area 380.64
Polar Surface Area 53.99

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 0.71 mg l-1
Aquatic invertebrates Acute 48 hour EC50 > 0.92 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.225 mg l-1
Birds Acute LD50 > 2025 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 3.0 mg kg-1
Earthworms Acute 14 day LD50 > 500 mg kg-1
Fish Acute 96 hour LC50 > 0.82 mg l-1
Honeybees Acute 48 hour LD50 > 100 μg bee-1
Mammals Acute oral LD50 > 5000 mg kg-1
Mammals Short term dietary NOEL 43 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 1.0 mg kg-1
Bio-concentration factor CT50 0.53 days
Bio-concentration factor BCF 530
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