Imazethapyr Ammonium

Basic Info

Common NameImazethapyr Ammonium(F06062)
2D Structure
FRCD IDF06062
CAS Number101917-66-2
PubChem CID175888
FormulaC15H22N4O3
IUPAC Name

azanium;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate

InChI Key

QRSHQJLLXXEYPS-UHFFFAOYSA-N

InChI

InChI=1S/C15H19N3O3.H3N/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3;/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21);1H3

Canonical SMILES

CCC1=CN=C(C(=C1)C(=O)[O-])C2=NC(C(=O)N2)(C)C(C)C.[NH4+]

Isomeric SMILES

CCC1=CN=C(C(=C1)C(=O)[O-])C2=NC(C(=O)N2)(C)C(C)C.[NH4+]

Synonyms
        
            3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-ethyl-, monoammonium salt
        
            Imazethapyr ammonium
        
            Imazethapyr-ammonium
        
            Imacethapyr ammonium salt
        
            Imazethapyr-ammonium [ISO]
        
            101917-66-2
        
            Imazethapyr ammonium salt (1:1)
        
            Imazethapyr, ammonium salt
        
            AC1L41SH
        
            SCHEMBL144704
Classifies
                

                  
                    Pesticide
Update DateNov 13, 2018 17:07

Chemical Taxonomy

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree NodesAmino acids and derivatives
Direct ParentAlpha amino acids and derivatives
Alternative Parents
Molecular FrameworkAromatic heteromonocyclic compounds
SubstituentsAlpha-amino acid or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Imidazolyl carboxylic acid derivative - Imidazolinone - Pyridine - 2-imidazoline - Heteroaromatic compound - Carboxylic acid salt - Azacycle - Organoheterocyclic compound - Carboxylic acid amidine - Carboxylic acid - Monocarboxylic acid or derivatives - Amidine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

Properties

Property NameProperty Value
Molecular Weight306.366
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Complexity469
Monoisotopic Mass306.169
Exact Mass306.169
Formal Charge0
Heavy Atom Count22
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

MRLs

FoodProduct CodeCountryMRLsApplication DateNotes
Pig,KidneyJapan0.1ppm
Orange(Including Navel Orange)Japan0.05ppm
ChicoryJapan0.05ppm
CrustaceansJapan0.1ppm
Other Poultry,EggsJapan0.1ppm
Chicken,EggsJapan0.1ppm
Other Poultry Animals,Edible OffalJapan0.1ppm
Chicken,Edible OffalJapan0.1ppm
Other Poultry Animals,KidneyJapan0.1ppm
Chicken,KidneyJapan0.1ppm
Other Poultry Animals,LiverJapan0.1ppm
Chicken,LiverJapan0.1ppm
Other Poultry Animals,FatJapan0.1ppm
Chicken,FatJapan0.1ppm
Other Poultry Animals,MuscleJapan0.1ppm
Chicken,MuscleJapan0.1ppm
MilkJapan0.1ppm
Other Terrestrial Mammals,Edible OffalJapan0.1ppm
Pig,Edible OffalJapan0.1ppm
Cattle,Edible OffalJapan0.1ppm

References

TitleJournalDatePubmed ID
Analyzing Arabidopsis thaliana root proteome provides insights into the molecular bases of enantioselective imazethapyr toxicity.Sci Rep2015 Jul 826153126
Imazethapyr enantioselectively affects chlorophyll synthesis and photosynthesis in Arabidopsis thaliana.J Agric Food Chem2013 Feb 1323343119
Pesticide side effect on the symbiotic efficiency and nitrogenase activity of Rhizobiaceae bacteria family.Pol J Microbiol200516209094