phosalone

Identification (Source:EPA,EU)

ID 231
Name phosalone
CAS 2310-17-0
IUPAC
Inchi InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
CIPAC 109
EPA Code 097701
Formula C12H15ClNO4PS2
SMILES Clc2ccc1c(OC(=O)N1CSP(=S)(OCC)OCC)c2
Status Not Approved

Classification

Mode of Action Non-systemic with contact and stomach action. Acetylcholinesterase (AChE) inhibitor.
Pesticide Type Insecticide, Acaricide
Chemical Group Organophosphate
Classification organothiophosphate insecticides
heterocyclic organothiophosphate insecticides
organothiophosphate acaricides

Properties (Source:PubChem)

Molecular Weight 367.8
Physical State Colourless crystals
AlogP 4.001
H-Bond Donor 0
H-Bond Acceptor 6
Surface Area 328.08
Polar Surface Area 115.2

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
Algae Chronic 96 hour NOEC, growth 0.1 mg l-1
Algae Acute 72 hour EC50, growth 1.1 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.00014 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.00074 mg l-1
Birds Acute LD50 503 mg kg-1
Birds Short term dietary LC50/LD50 1659 mg/kg feed
Earthworms Acute 14 day LD50 22.5 mg kg-1
Fish Acute 96 hour LC50 0.63 mg l-1
Fish Chronic 21 day NOEC 0.056 mg l-1
Honeybees Acute 48 hour LD50 4.4 μg bee-1
Mammals Acute oral LD50 120 mg kg-1
Mammals Short term dietary NOEL 3.5 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.019 mg kg-1
Bio-concentration factor BCF 180
Bio-concentration factor CT50 0.71 days

Related targets

Target Name RScore (About this table)
Acetylcholinesterase 220(2,3,6,15) Details
anticholinesterase 102(1,1,3,12) Details
ATPases 82(1,1,1,2) Details
Koc 38(0,1,2,3) Details
alkaline phosphatase 37(0,1,2,2) Details
p50 31(0,1,1,1) Details
intestinal alkaline phosphatase 31(0,1,1,1) Details
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