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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:45:27 UTC
Update Date2022-03-07 02:53:07 UTC
HMDB IDHMDB0031787
Secondary Accession Numbers
  • HMDB31787
Metabolite Identification
Common NameFenamiphos
DescriptionFenamiphos, also known as nemacur or bay sra 3886, belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group. Based on a literature review very few articles have been published on Fenamiphos.
Structure
Data?1563862171
Synonyms
Chemical FormulaC13H22NO3PS
Average Molecular Weight303.357
Monoisotopic Molecular Weight303.105800777
IUPAC Name{ethoxy[3-methyl-4-(methylsulfanyl)phenoxy]phosphoryl}(propan-2-yl)amine
Traditional Namefenamiphos
CAS Registry Number22224-92-6
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 KeyZCJPOPBZHLUFHF-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassPhenoxy compounds
Direct ParentPhenoxy compounds
Alternative Parents
Substituents
  • Phenoxy compound
  • Aryl thioether
  • Thiophenol ether
  • Phosphoric diester monoamide
  • Toluene
  • Alkylarylthioether
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Organic phosphoric acid amide
  • Sulfenyl compound
  • Thioether
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organosulfur compound
  • Organooxygen compound
  • Organic oxide
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point49 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.33 mg/mL at 20 °CNot Available
LogP3.23Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB008460
KNApSAcK IDNot Available
Chemspider ID28827
KEGG Compound IDC18659
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkFenamiphos
METLIN IDNot Available
PubChem Compound31070
PDB IDNot Available
ChEBI ID38680
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .