isoxathion

Identification (Source:EPA,EU)

ID 1525
Name isoxathion
CAS 18854-01-8
IUPAC
Inchi InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
CIPAC 702
EPA Code
Formula C13H16NO4PS
SMILES S=P(Oc2noc(c1ccccc1)c2)(OCC)OCC
Status Not Approved

Classification

Mode of Action Contact and stomach action, acts by inhibiting acetylcholinesterase
Pesticide Type Insecticide
Chemical Group Organophosphate
Classification isoxazole organothiophosphate insecticides
organothiophosphate insecticides
heterocyclic organothiophosphate insecticides

Properties (Source:PubChem)

Molecular Weight 313.31
Physical State Pale yellow liquid
AlogP 3.811
H-Bond Donor 0
H-Bond Acceptor 5
Surface Area 292.94
Polar Surface Area 95.62

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

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 0.0052 mg l-1
Birds Acute LD50 19 mg kg-1
Fish Acute 96 hour LC50 1.7 mg l-1
Honeybees Acute 48 hour LD50 0.082 μg bee-1
Mammals Acute oral LD50 112 mg kg-1
Mammals Short term dietary NOEL 1.2 mg kg-1
Bio-concentration factor BCF 730
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
aryl hydrocarbon receptor 38(0,1,1,8) Details
serum cholinesterase 9(0,0,1,4) Details
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