quinalphos

Identification (Source:EPA,EU)

ID 239
Name quinalphos
CAS 13593-03-8
IUPAC
Inchi InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3
CIPAC 449
EPA Code
Formula C12H15N2O3PS
SMILES S=P(OCC)(OCC)Oc1nc2ccccc2nc1
Status Not Approved

Classification

Mode of Action Contact and stomach action. Acetylcholinesterase (AChE) inhibitor.
Pesticide Type Insecticide, Acaricide
Chemical Group Organophosphate
Classification heterocyclic organothiophosphate insecticides
organothiophosphate acaricides
organothiophosphate insecticides
quinoxaline organothiophosphate insecticides

Properties (Source:PubChem)

Molecular Weight 298.3
Physical State Colourless crystals
AlogP 3.011
H-Bond Donor 0
H-Bond Acceptor 6
Surface Area 280.97
Polar Surface Area 95.37

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
Aquatic invertebrates Acute 48 hour EC50 0.00066 mg l-1
Birds Acute LD50 4.3 mg kg-1
Earthworms Acute 14 day LD50 118.4 mg kg-1
Fish Acute 96 hour LC50 0.005 mg l-1
Honeybees Acute 48 hour LD50 0.07 μg bee-1
Mammals Acute oral LD50 71 mg kg-1
Mammals Short term dietary NOEL 3 ppm diet

Related targets

Target Name RScore (About this table)
cholinesterase 205(1,4,8,15) Details
Acetylcholinesterase 151(1,3,3,11) Details
neuropathy target esterase 113(1,2,2,3) Details
aryl hydrocarbon receptor 38(0,1,1,8) Details
ha 1 34(0,1,1,4) Details
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