chlorpyrifos-methyl

Identification (Source:EPA,EU)

ID 1528
Name chlorpyrifos-methyl
CAS 5598-13-0
IUPAC
Inchi InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3
CIPAC 486
EPA Code 059102
Formula C7H7Cl3NO3PS
SMILES Clc1c(OP(=S)(OC)OC)nc(Cl)c(Cl)c1
Status Approved

Classification

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

Properties (Source:PubChem)

Molecular Weight 322.53
Physical State Pale yellow crystals
AlogP 3.901
H-Bond Donor 0
H-Bond Acceptor 5
Surface Area 276.7
Polar Surface Area 82.48

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 0.57 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.0006 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.00001 mg l-1
Birds Short term dietary LC50/LD50 2010 ppm
Birds Acute LD50 923 mg kg-1
Earthworms Acute 14 day LD50 182 mg kg-1
Fish Acute 96 hour LC50 0.41 mg l-1
Fish Chronic 21 day NOEC 0.005 mg l-1
Honeybees Acute 48 hour LD50 0.11 μg bee-1
Mammals Acute oral LD50 2814 mg kg-1
Mammals Short term dietary NOEL 0.1 mg kg-1
Bio-concentration factor BCF 1800
Bio-concentration factor CT50 2.6 days

Related targets

Target Name RScore (About this table)
CB1 receptor 85(1,1,1,5) Details
C18 84(1,1,1,4) Details
Acetylcholinesterase 90(0,2,2,30) Details
Pf1 35(0,1,1,5) Details
neuropathy target esterase 32(0,1,1,2) Details
LC20 32(0,1,1,2) Details
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