Fenamiphos

Basic Info

FADB-China IDC0305
Substance NameOrganophosphorus pesticide
Substance Chinese Name有机磷农药
Molecular NameFenamiphos
Molecular Chinese Name克线磷
2D StructureNo image
CAS Number22224-92-6
PubChem CID31070
FormulaC13H22NO3PS
IUPAC NameN-[ethoxy-(3-methyl-4-methylsulfanylphenoxy)phosphoryl]propan-2-amine
InChI KeyZCJPOPBZHLUFHF-UHFFFAOYSA-N
InChIInChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)
Canonical SMILES

CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C

Isomeric SMILES

CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C

CFM-ID 3.0URL Link
Related linksTransportation, Processing
Addition PurposesDesinsectization
Molecular Synonyms
        
            FENAMIPHOS
        
            Phenamiphos
        
            Nemacur
        
            22224-92-6
        
            Nemacur P
        
            Methaphenamiphos
        
            BAY sra 3886
        
            Fenamiphos [BSI:ISO]
        
            BAY 68138
        
            Caswell No. 453A
Data UploaderShuyu Ouyang
Update DateAug 12, 2019 10:33

Properties

Property NameProperty Value
Molecular Weight303.36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity314
Monoisotopic Mass303.10580175
Exact Mass303.10580175
XLogP3.2
Formal Charge0
Heavy Atom Count19
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

ADMET

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.9121
Human Intestinal AbsorptionHIA+1.0000
Caco-2 PermeabilityCaco2+0.5216
P-glycoprotein SubstrateNon-substrate0.8404
P-glycoprotein InhibitorNon-inhibitor0.6326
Non-inhibitor0.9587
Renal Organic Cation TransporterNon-inhibitor0.8877
Distribution
Subcellular localizationMitochondria0.7909
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8215
CYP450 2D6 SubstrateNon-substrate0.6801
CYP450 3A4 SubstrateSubstrate0.5597
CYP450 1A2 InhibitorInhibitor0.6919
CYP450 2C9 InhibitorNon-inhibitor0.6127
CYP450 2D6 InhibitorNon-inhibitor0.8647
CYP450 2C19 InhibitorInhibitor0.6161
CYP450 3A4 InhibitorNon-inhibitor0.8022
CYP Inhibitory PromiscuityHigh CYP Inhibitory Promiscuity0.6644
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9301
Non-inhibitor0.8129
AMES ToxicityNon AMES toxic0.9132
CarcinogensNon-carcinogens0.6741
Fish ToxicityHigh FHMT0.9057
Tetrahymena Pyriformis ToxicityHigh TPT0.8274
Honey Bee ToxicityHigh HBT0.8934
BiodegradationNot ready biodegradable0.9786
Acute Oral ToxicityI0.7933
Carcinogenicity (Three-class)Non-required0.5742

ADMET -- Regression

Model Value Unit
Aqueous solubility-3.4157LogS
Caco-2 Permeability1.0754LogPapp, cm/s
Rat Acute Toxicity4.5478LD50, mol/kg
Fish Toxicity1.3693pLC50, mg/L
Tetrahymena Pyriformis Toxicity0.1183pIGC50, ug/L

Related Foods

FADB-China ID F0025
Food Image No Pictures
Food Name Ham
Food Chinese Name 火腿
Food Type Processed food
References List of non-edible substances that may be illegally added in food (third batch)
FADB-China ID F0027
Food Image No Pictures
Food Name Dried fish
Food Chinese Name 鱼干
Food Type Processed food
References List of non-edible substances that may be illegally added in food (third batch)
FADB-China ID F0028
Food Image No Pictures
Food Name Salted fish
Food Chinese Name 咸鱼
Food Type Processed food
References List of non-edible substances that may be illegally added in food (third batch)

Potential Illegal Additives

ID Structure Name Source PubChem Link


No Image

Fenamiphos sulfoxide		 

FRCD

Link


No Image

Fenamiphos-sulfone		 

FRCD

Link

References

TitleDOI/PubMed/ISSN
List of non-edible substances that may be illegally added in food (third batch)