propoxur

Identification (Source:EPA,EU)

ID 137
Name propoxur
CAS 114-26-1
IUPAC 2-isopropoxyphenyl methylcarbamate
Inchi InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
CIPAC 80
EPA Code 047802
Formula C11H15NO3
SMILES O=C(Oc1ccccc1OC(C)C)NC
Status Not Approved

Classification

Mode of Action Non-systemic with contact and stomach action. Acetylcholinesterase (AChE) inhibitor.
Pesticide Type Insecticide, Acaricide, Veterinary treatment
Chemical Group Carbamate
Classification phenyl methylcarbamate insecticides
carbamate acaricides

Properties (Source:PubChem)

Molecular Weight 209.24
Physical State White crystalline solid
AlogP 2.303
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 219.5
Polar Surface Area 47.56

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 0.15 mg l-1
Birds Acute LD50 25.9 mg kg-1
Fish Acute 96 hour LC50 6.2 mg l-1
Honeybees Acute 48 hour LD50 1.35 μg bee-1
Mammals Acute oral LD50 50 mg kg-1
Mammals Short term dietary NOEL 200 ppm diet
Sediment dwelling organisms Acute 96 hour LC50 38.1 mg l-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 75

Related targets

Target Name RScore (About this table)
Acetylcholinesterase 989(6,15,32,154) Details
cholinesterase 664(4,11,25,64) Details
ATPase 49(0,1,4,4) Details
Salvador 45(0,1,3,5) Details
acetylcholine receptors (protein family or complex) 35(0,1,1,5) Details
DTNB 34(0,1,1,4) Details
cytochrome P450 monooxygenase 33(0,1,1,3) Details
glutathione S transferase 23(0,0,2,13) Details
cytochrome P450 (protein family or complex) 15(0,0,2,5) Details
HC5 15(0,0,2,5) Details
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