fenitrothion

Identification (Source:EPA,EU)

ID 1548
Name fenitrothion
CAS 122-14-5
IUPAC
Inchi InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3
CIPAC 35
EPA Code 105901
Formula C9H12NO5PS
SMILES S=P(Oc1cc(c(cc1)[N+]([O-])=O)C)(OC)OC
Status Not Approved

Classification

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

Properties (Source:PubChem)

Molecular Weight 277.23
Physical State Yellow brown liquid
AlogP 2.691
H-Bond Donor 0
H-Bond Acceptor 6
Surface Area 265.59
Polar Surface Area 115.41

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 Acute 72 hour EC50, growth 1.3 mg l-1
Algae Chronic 96 hour NOEC, growth 0.1 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.000087 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.0086 mg l-1
Birds Short term dietary LC50/LD50 23 mg/kg bw/day
Birds Acute LD50 2.3 mg kg-1
Earthworms Acute 14 day LD50 231 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 25 mg kg-1
Fish Chronic 21 day NOEC 0.088 mg l-1
Fish Acute 96 hour LC50 1.3 mg l-1
Honeybees Acute 48 hour LD50 0.16 μg bee-1
Mammals Acute oral LD50 330 mg kg-1
Mammals Short term dietary NOEL > 10 ppm diet
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.0017 mg kg-1
Bio-concentration factor CT50 0.19 days
Bio-concentration factor BCF 29

Related targets

Target Name RScore (About this table)
Acetylcholinesterase 1610(10,26,56,180) Details
cholinesterase 899(6,13,34,104) Details
androgen receptor 192(1,4,6,12) Details
cytochrome P450 (protein family or complex) 119(1,2,2,9) Details
hemoglobins (protein family or complex) 119(1,1,6,14) Details
C18 96(1,1,2,11) Details
lactate dehydrogenase (protein family or complex) 88(1,1,1,8) Details
DTNB 88(1,1,2,3) Details
Dragon 87(1,1,2,2) Details
SRBC 87(1,1,2,2) Details
alanine aminotransferase 85(1,1,1,5) Details
alkaline phosphatases 81(1,1,1,1) Details
interleukin 1 81(1,1,1,1) Details
ribonucleotide reductase (protein family or complex) 81(1,1,1,1) Details
neurotoxic esterase 52(0,1,4,7) Details
ATPase 45(0,1,3,5) Details
MN1 39(0,1,2,4) Details
brains 38(0,1,2,3) Details
microsomal monooxygenases 37(0,1,2,2) Details
multidrug resistance associated protein 1 34(0,1,1,4) Details
CYP2D6 33(0,1,1,3) Details
CYP3A4 33(0,1,1,3) Details
glutathione transferase 32(0,1,1,2) Details
CYP2C9 32(0,1,1,2) Details
CYP1A1 32(0,1,1,2) Details
CYP2B6 31(0,1,1,1) Details
glutathione S transferase 24(0,0,2,14) Details
glutamyl transpeptidase 22(0,0,3,7) Details
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