hexaflumuron

Identification (Source:EPA,EU)

ID 1416
Name hexaflumuron
CAS 86479-06-3
IUPAC 1-[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-(2,6-difluorobenzoyl)urea
Inchi InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)
CIPAC 698
EPA Code 118202
Formula C16H8Cl2F6N2O3
SMILES Clc1cc(cc(Cl)c1OC(F)(F)C(F)F)NC(=O)NC(=O)c2c(F)cccc2F
Status Not Approved

Classification

Mode of Action Chitin synthesis inhibitor, systemic with stomach action
Pesticide Type Insecticide
Chemical Group Benzoylurea
Classification benzoylphenylurea chitin synthesis inhibitors
chitin synthesis inhibitors

Properties (Source:PubChem)

Molecular Weight 461.14
Physical State Colourless solid
AlogP 5.614
H-Bond Donor 2
H-Bond Acceptor 3
Surface Area 367.72
Polar Surface Area 67.43

Structure



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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 3.2 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.0001 mg l-1
Birds Acute LD50 2000 mg kg-1
Earthworms Acute 14 day LD50 880 mg kg-1
Fish Acute 96 hour LC50 100 mg l-1
Honeybees Acute 48 hour LD50 0.1 μg bee-1
Mammals Acute oral LD50 > 5000 mg kg-1
Mammals Short term dietary NOEL 75 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 4700

Related targets

Target Name RScore (About this table)
C18 10(0,0,1,5) Details
CYP3A4 8(0,0,1,3) Details
CYP2D6 8(0,0,1,3) Details
CYP2C9 7(0,0,1,2) Details
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