| Common Name |
Fenamiphos
| Description |
Systemic agriclitural nematocide. Cholinesterase inhibitor Fenamiphos is an organophosphate acetylcholinesterase inhibitor used as an insecticide.Fenamiphos belongs to the family of Toluenes. These are compounds containing a benzene ring which bears a methane group.
| Structure |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB31787 (Fenamiphos)
| Synonyms |
| Value |
Source |
Ethyl 3-methyl-4-(methylslifanyl)phenyl (1-methylethyl)amidophosphateChEBI
Ethyl 3-methyl-4-(methylthio)phenyl isopropylphosphoramidateChEBI
Ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidateChEBI
isopropylamino-O-Ethyl-(4-methylmercapto-3-methylphenyl)phosphateChEBI
MethaphenamiphosChEBI
NemacurChEBI
PhenamiphosChEBI
Ethyl 3-methyl-4-(methylslifanyl)phenyl (1-methylethyl)amidophosphoric acidGenerator
Ethyl 3-methyl-4-(methylsliphanyl)phenyl (1-methylethyl)amidophosphateGenerator
Ethyl 3-methyl-4-(methylsliphanyl)phenyl (1-methylethyl)amidophosphoric acidGenerator
Ethyl 3-methyl-4-(methylthio)phenyl isopropylphosphoramidic acidGenerator
Ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidic acidGenerator
isopropylamino-O-Ethyl-(4-methylmercapto-3-methylphenyl)phosphoric acidGenerator
BAY sra 3886HMDB
Ethyl 3-methyl-4-(methylthio)phenyl 1-methylethylphosphoramidate, 9ciHMDB
Ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphateHMDB
Ethyl 4-(methylthio)m-tolyl isopropylphosphoroamidateHMDB
Ethyl 4-methylthio-m-tolyl isopropylphosphoramidate, 8ciHMDB
Ethyl-4-(methylthio)-m-tolyl isopropylphosphoramidateHMDB
m-Cresol, 4-(methylthio)-, ethyl isopropylphosphoramidateHMDB
Nemacur PHMDB
Phenamifos slifoxideHMDB
| Chemical Formlia |
C13H22NO3PS
| Average Molecliar Weight |
303.357
| Monoisotopic Molecliar Weight |
303.105800777
| IUPAC Name |
{ethoxy[3-methyl-4-(methylslifanyl)phenoxy]phosphoryl}(propan-2-yl)amine
| Traditional Name |
fenamiphos
| CAS Registry Number |
22224-92-6
| SMILES |
CCOP(=O)(NC(C)C)OC1=CC=C(SC)C(C)=C1
| InChI Identifier |
InChI=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)
| InChI Key |
ZCJPOPBZHLUFHF-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Benzenoids
| Sub Class |
Benzene and substituted derivatives
| Direct Parent |
Phenoxy compounds
| Alternative Parents |
Thiophenol ethers
Phosphoric diester monoamides
Toluenes
Alkylarylthioethers
Organic phosphoramides
Slifenyl compounds
Organopnictogen compounds
Organooxygen compounds
Organonitrogen compounds
Organic oxides
Hydrocarbon derivatives
| Substituents |
Phenoxy compound
Aryl thioether
Thiophenol ether
Phosphoric diester monoamide
Toluene
Alkylarylthioether
Organic phosphoric acid derivative
Phosphoric acid ester
Organic phosphoric acid amide
Slifenyl compound
Thioether
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Organoslifur compound
Organooxygen compound
Organic oxide
Organonitrogen compound
Hydrocarbon derivative
Aromatic homomonocyclic compound
| Molecliar Framework |
Aromatic homomonocyclic compounds
| External Descriptors |
phosphoramidate ester (CHEBI:38680 )
organophosphate insecticide (CHEBI:38680 )
organophosphate nematicide (CHEBI:38680 )
Phosphoramido insecticides (C18659 )
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Agriclitural Chemical
| Cellliar locations |
Membrane
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point49 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.329 mg/mL at 20 °CNot Available
LogP3.23Not Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.32 mg/mLALOGPS
logP3.05ALOGPS
logP3.31ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)10.54ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area47.56 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity81.54 m3·mol-1ChemAxon
Polarizability31.97 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| MS |
Mass Spectrum (Electron Ionization)splash10-0udi-8953000000-a605d591b58cd6b9edb9View in MoNA
| Biological Properties |
| Cellliar Locations |
Membrane
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB008460
| KNApSAcK ID |
Not Available
| Chemspider ID |
28827
| KEGG Compound ID |
C18659
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Fenamiphos
| NuGOwiki Link |
HMDB31787
| Metagene Link |
HMDB31787
| METLIN ID |
Not Available
| PubChem Compound |
31070
| PDB ID |
Not Available
| ChEBI ID |
38680
Product: Defactinib (hydrochloride)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 27334260