demeton

Identification (Source:EPA,EU)

ID 206
Name demeton
CAS 8065-48-3
IUPAC
Inchi InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3
CIPAC
EPA Code 057601
Formula C8H19O3PS2
SMILES P(OCC)(=O)(OCC)SCCSCC.P(OCC)(OCC)(OCCSCC)=S
Status Not Approved

Classification

Mode of Action Systemic with contact and stomach action. Acetylcholinesterase (AChE) inhibitor.
Pesticide Type Insecticide, Acaricide
Chemical Group Organophosphate (isomer mix)
Classification organothiophosphate insecticides
organothiophosphate acaricides
aliphatic organothiophosphate insecticides

Properties (Source:PubChem)

Molecular Weight 258.34
Physical State Bright yellow oil
AlogP
H-Bond Donor
H-Bond Acceptor
Surface Area
Polar Surface Area

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 0.0104 mg l-1
Birds Acute LD50 7.18 mg kg-1
Fish Acute 96 hour LC50 1.6 mg l-1
Honeybees Acute 48 hour LD50 2.6 μg bee-1
Mammals Acute oral LD50 2.5 mg kg-1

Related targets

Target Name RScore (About this table)
Acetylcholinesterase 59(0,0,2,49) Details
anticholinesterase 36(0,0,3,21) Details
CF 1 (protein family or complex) 12(0,0,2,2) Details
FMO1 8(0,0,1,3) Details
lipase 7(0,0,0,7) Details
acid phosphatase 7(0,0,0,7) Details
FMO3 6(0,0,1,1) Details
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