imidacloprid

Identification (Source:EPA,EU)

ID 1457
Name imidacloprid
CAS 138261-41-3
IUPAC
Inchi InChI=1/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)/f/h11H/b13-9+
CIPAC 582
EPA Code 129099
Formula C9H10ClN5O2
SMILES [O-][N+](=O)NC/1=N/CCN\1Cc2cnc(Cl)cc2
Status Approved

Classification

Mode of Action Systemic with contact and stomach action. Acetylcholine receptor (nAChR) agonist.
Pesticide Type Insecticide, Veterinary treatment
Chemical Group Neonicotinoid
Classification nitroguanidine nicotinoid insecticides
pyridylmethylamine nicotinoid insecticides

Properties (Source:PubChem)

Molecular Weight 255.66
Physical State Colourless to cream crystalline powder depending on purity
AlogP 2.962
H-Bond Donor 1
H-Bond Acceptor 5
Surface Area 239.08
Polar Surface Area 86.34

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 10 mg l-1
Algae Acute 72 hour EC50, growth > 10 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.046 mg l-1
Aquatic invertebrates Acute 48 hour EC50 85 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 1.8 mg l-1
Birds Acute LD50 31 mg kg-1
Earthworms Acute 14 day LD50 10.7 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 0.178 mg kg-1
Fish Chronic 21 day NOEC 9.02 mg l-1
Fish Acute 96 hour LC50 211 mg l-1
Honeybees Acute 48 hour LD50 0.0037 μg bee-1
Mammals Acute oral LD50 131 mg kg-1
Mammals Short term dietary NOEL > 120 ppm diet
Mammals Short term dietary NOEL > 13 mg kg-1
Sediment dwelling organisms Acute 96 hour LC50 0.055 mg l-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment > 0.0027 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 0.61

Related targets

Target Name RScore (About this table)
acetylcholine receptor (protein family or complex) 2583(23,40,58,143) Details
aldehyde oxidase 199(2,3,3,9) Details
Acetylcholinesterase 183(2,2,4,13) Details
hemoglobin (protein family or complex) 163(2,2,2,3) Details
GABA receptor (protein family or complex) 149(1,3,3,9) Details
cytochrome P450 (protein family or complex) 136(1,2,4,16) Details
CYP3A4 93(1,1,2,8) Details
NNO2 81(1,1,1,1) Details
Koc 38(0,1,2,3) Details
ha 1 37(0,1,2,2) Details
glial fibrillary acidic protein 19(0,0,3,4) Details
C18 16(0,0,2,6) Details
glutathione S transferase 15(0,0,2,5) Details
F11 13(0,0,2,3) Details
thymoma 13(0,0,2,3) Details
muscles 9(0,0,1,4) Details
cytochrome P450 monooxygenase 9(0,0,1,4) Details
HSP27 8(0,0,1,3) Details
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