spirodiclofen

Identification (Source:EPA,EU)

ID 285
Name spirodiclofen
CAS 148477-71-8
IUPAC 3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutyrate
Inchi InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3
CIPAC 737
EPA Code 124871
Formula C21H24Cl2O4
SMILES CC(C)(CC)C(=O)O\C2=C(\C(=O)OC12CCCCC1)c3cc(Cl)cc(Cl)c3
Status Approved

Classification

Mode of Action Selective, non-systemic, distrupts mite development
Pesticide Type Acaricide, Insecticide
Chemical Group Tetronic acid
Classification tetronic acid acaricides

Properties (Source:PubChem)

Molecular Weight 411.32
Physical State White powder
AlogP 6.384
H-Bond Donor 0
H-Bond Acceptor 4
Surface Area 387.65
Polar Surface Area 52.6

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 > 0.06 mg l-1
Aquatic invertebrates Acute 48 hour EC50 > 0.051 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.025 mg l-1
Birds Short term dietary LC50/LD50 > 1061 mg/kg bw/day
Birds Acute LD50 > 2000 mg kg-1
Earthworms Acute 14 day LD50 > 1000 mg kg-1
Fish Chronic 21 day NOEC 0.02 mg l-1
Fish Acute 96 hour LC50 > 0.035 mg l-1
Honeybees Acute 48 hour LD50 > 196 μg bee-1
Mammals Acute oral LD50 > 2500 mg kg-1
Mammals Short term dietary NOEL > 70 ppm diet
Mammals Short term dietary NOEL > 6 mg kg-1
Sediment dwelling organisms Acute 96 hour LC50 0.032 mg l-1
Bio-concentration factor CT50 0.79 days
Bio-concentration factor BCF 1.4

Related targets

Target Name RScore (About this table)
glutathione S transferases 6(0,0,1,1) Details
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