Emamectin Benzoate

Basic Info

Common NameEmamectin Benzoate(F06195)
2D Structure
FRCD IDF06195
CAS Number155569-91-8
PubChem CID22833503
FormulaC56H81NO15
IUPAC Name

None

InChI Key

GCKZANITAMOIAR-XWVCPFKXSA-N

InChI

InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+;/m0./s1

Canonical SMILES

CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)[NH2+]C)OC)OC)C)C.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)[NH2+]C)OC)OC)\C)C.C1=CC=C(C=C1)C(=O)[O-]

Synonyms
        
            Proclaim 5SG
        
            Emamectin benzoate
        
            Proclaim
        
            Denim
        
            Methylamino abamectin benzoate
        
            155569-91-8
        
            Shot Wan
        
            Denim (pesticide)
        
            Sch 58854
        
            MK 244
Classifies
                

                  
                    Veterinary Drug
                  
                    Pesticide
Update DateNov 13, 2018 17:07

Chemical Taxonomy

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbohydrates and carbohydrate conjugates
Intermediate Tree NodesAminosaccharides
Direct ParentAminoglycosides
Alternative Parents
Molecular FrameworkNot available
SubstituentsAminoglycoside core - Macrolide - Glycosyl compound - O-glycosyl compound - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Ketal - Benzenoid - Pyran - Oxane - Monocyclic benzene moiety - Monosaccharide - Tetrahydrofuran - Tertiary alcohol - Amino acid or derivatives - Secondary alcohol - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Secondary amine - Oxacycle - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Ether - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Amine - Alcohol - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.

Properties

Property NameProperty Value
Molecular Weight1008.256
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Complexity1850
Monoisotopic Mass1007.561
Exact Mass1007.561
Formal Charge0
Heavy Atom Count72
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

MRLs

FoodProduct CodeCountryMRLsApplication DateNotes
Other FishJapan0.0005ppm
Other Terrestrial Mammals,Edible OffalJapan0.01ppm
Sweet PotatoJapan0.1ppm
HoneyJapan0.0005ppm
Other Aquatic AnimalJapan0.0005ppm
CrustaceansJapan0.0005ppm
Shelled MolluscasJapan0.0005ppm
PerciformesJapan0.0005ppm
AnguilliformesJapan0.0005ppm
SalmoniformesJapan0.1ppm
Other Poultry,EggsJapan0.0005ppm
Chicken,EggsJapan0.0005ppm
Other Poultry Animals,Edible OffalJapan0.0005ppm
Chicken,Edible OffalJapan0.0005ppm
Other Poultry Animals,KidneyJapan0.0005ppm
Chicken,KidneyJapan0.0005ppm
Other Poultry Animals,LiverJapan0.0005ppm
Chicken,LiverJapan0.0005ppm
Other Poultry Animals,FatJapan0.0005ppm
Chicken,FatJapan0.0005ppm

References

TitleJournalDatePubmed ID
Establishing midgut cell culture from Rhynchophorus ferrugineus (Olivier) and toxicity assessment against ten different insecticides.In Vitro Cell Dev Biol Anim2014 Apr24197670
Do biopesticides affect the demographic traits of a parasitoid wasp and its biocontrol services through sublethal effects?PLoS One201324098793
Activity of broad-spectrum and reduced-risk insecticides on various life stages of cranberry fruitworm (Lepidoptera: Pyralidae) in highbush blueberry.J Econ Entomol2010 Oct21061972
Reducing the impact of pesticides on biological control in Australian vineyards: pesticide mortality and fecundity effects on an indicator species, the predatory mite Euseius victoriensis (Acari: Phytoseiidae).J Econ Entomol2010 Dec21309226