Basic Info

Common NameHexakis(2-Methyl-2-Phenylpropyl)Distannoxane(F04166)
2D Structure
Description

Miticide for use on fruit and vegetable crops

Hexakis(2-methyl-2-phenylpropyl)distannoxane belongs to the family of Cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.

FRCD IDF04166
CAS Number13356-08-6
PubChem CID16683004
FormulaC60H78OSn2
IUPAC Name

tris(2-methyl-2-phenylpropyl)-tris(2-methyl-2-phenylpropyl)stannyloxystannane

InChI Key

HOXINJBQVZWYGZ-UHFFFAOYSA-N

InChI

InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;

Canonical SMILES

CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)(CC(C)(C)C2=CC=CC=C2)O[Sn](CC(C)(C)C3=CC=CC=C3)(CC(C)(C)C4=CC=CC=C4)CC(C)(C)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)(CC(C)(C)C2=CC=CC=C2)O[Sn](CC(C)(C)C3=CC=CC=C3)(CC(C)(C)C4=CC=CC=C4)CC(C)(C)C5=CC=CC=C5)C6=CC=CC=C6

Synonyms
        
            Fenbutatin-oxide
        
            FENBUTATIN OXIDE
        
            13356-08-6
        
            Vendex
        
            Torque
        
            Hexakis
        
            Osdaran
        
            Bendex
        
            Fenbutatin-oxyde
        
            Fenylbutatin oxide
        
Classifies
                

                  
                    Pesticide
                  

                
        
Update DateNov 13, 2018 17:07

Chemical Taxonomy

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassPhenylpropanes
Intermediate Tree NodesNot available
Direct ParentPhenylpropanes
Alternative Parents
Molecular FrameworkAromatic homomonocyclic compounds
SubstituentsPhenylpropane - Trialkyltin - Organic metal salt - Organic oxygen compound - Hydrocarbon derivative - Organic tin salt - Organic salt - Organotin compound - Organometallic compound - Organic post-transition metal moeity - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.

Properties

Property NameProperty Value
Molecular Weight1052.703
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count20
Complexity1070
Monoisotopic Mass1054.41
Exact Mass1052.409
Formal Charge0
Heavy Atom Count63
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

ADMET

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.9791
Human Intestinal AbsorptionHIA+0.8566
Caco-2 PermeabilityCaco2+0.5887
P-glycoprotein SubstrateNon-substrate0.5114
P-glycoprotein InhibitorNon-inhibitor0.5760
Non-inhibitor0.8737
Renal Organic Cation TransporterNon-inhibitor0.7312
Distribution
Subcellular localizationMitochondria0.5983
Metabolism
CYP450 2C9 SubstrateNon-substrate0.7943
CYP450 2D6 SubstrateNon-substrate0.8396
CYP450 3A4 SubstrateSubstrate0.5461
CYP450 1A2 InhibitorNon-inhibitor0.7817
CYP450 2C9 InhibitorNon-inhibitor0.7772
CYP450 2D6 InhibitorNon-inhibitor0.8778
CYP450 2C19 InhibitorNon-inhibitor0.7186
CYP450 3A4 InhibitorNon-inhibitor0.8014
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.7576
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.7378
Non-inhibitor0.5190
AMES ToxicityNon AMES toxic0.8821
CarcinogensCarcinogens 0.7183
Fish ToxicityHigh FHMT0.8865
Tetrahymena Pyriformis ToxicityHigh TPT0.9835
Honey Bee ToxicityHigh HBT0.5624
BiodegradationNot ready biodegradable0.9918
Acute Oral ToxicityIII0.7006
Carcinogenicity (Three-class)Non-required0.5018

Model Value Unit
Absorption
Aqueous solubility-4.8166LogS
Caco-2 Permeability1.2199LogPapp, cm/s
Distribution
Metabolism
Excretion
Toxicity
Rat Acute Toxicity2.1229LD50, mol/kg
Fish Toxicity0.9046pLC50, mg/L
Tetrahymena Pyriformis Toxicity0.9680pIGC50, ug/L

MRLs

FoodProduct CodeCountryMRLsApplication DateNotes
Anise/aniseed0810010European Union0.1*07/11/2009
Brazil nuts0120020European Union0.05*07/11/2009
Cashew nuts0120030European Union0.05*07/11/2009
Chestnuts0120040European Union0.05*07/11/2009
Coconuts (Areca nuts/betel nuts,)0120050European Union0.05*07/11/2009
Hazelnuts/cobnuts (Acorns, Filberts,)0120060European Union0.05*07/11/2009
Macadamias0120070European Union0.05*07/11/2009
Pecans (Hickory nuts,)0120080European Union0.05*07/11/2009
Pistachios0120100European Union0.05*07/11/2009
Walnuts0120110European Union0.05*07/11/2009
Others (2)0120990European Union0.05*07/11/2009
Pome fruits0130000European Union207/11/2009
Apples (Crab apples/wild apples, Tejocotes,)0130010European Union207/11/2009
Pears (Nashi pears/Oriental pears, Wild pears, Ya pears/Chinese white pears,)0130020European Union207/11/2009
Quinces (Chinese quinces, Japanese quinces,)0130030European Union207/11/2009
Medlars0130040European Union207/11/2009
Loquats/Japanese medlars0130050European Union207/11/2009
Others (2)0130990European Union207/11/2009
Stone fruits0140000European Union0.05*07/11/2009
Apricots (Japanese apricots/Umes, Nectacots,)0140010European Union0.05*07/11/2009

References

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Association of age and gender with Torque teno virus detection in stools fromdiarrheic and non-diarrheic people.J Clin Virol2015 Nov26401905
Presence, viral load and characterization of Torque teno sus viruses in liver andpork chop samples at retail.Int J Food Microbiol2014 May 1624680858
Presence of Torque teno virus (TTV) in tap water in public schools from Southern Brazil.Food Environ Virol2013 Mar23412718
Detection of a porcine boca-like virus in combination with porcine circovirustype 2 genotypes and Torque teno sus virus in pigs from postweaning multisystemicwasting syndrome (PMWS)-affected and non-PMWS-affected farms in archival samples from Great Britain.Vet Microbiol2013 Jun 2823578709
Detection of porcine anelloviruses in pork meat and human faeces.Virus Res2013 Dec 2624091365
Real-time PCR study of the infection dynamics of Torque teno sus viruses innaturally infected pigs from nursery to slaughterhouse.Vet J2013 Aug23395348
Snatch-farrowed, porcine-colostrum-deprived (SF-pCD) pigs as a model for swineinfectious disease research.Can J Vet Res2013 Apr24082397
Globalisation and global trade influence molecular viral population genetics ofTorque Teno Sus Viruses 1 and 2 in pigs.Vet Microbiol2012 Apr 2322101091
Molecular detection of Torque teno virus in different breeds of swine.Virol J2011 Nov 322050715
Development of a real-time TaqMan PCR assay for the detection of porcine andbovine Torque teno virus.J Appl Microbiol2010 Jun19958424
Short communication: Detection of human Torque teno virus in the milk of waterbuffaloes (Bubalus bubalis).J Dairy Sci2009 Dec19923596
Detection of a novel porcine boca-like virus in the background of porcinecircovirus type 2 induced postweaning multisystemic wasting syndrome.Virus Res2009 Dec19748534
Unraveling the puzzle of human anellovirus infections by comparison with avianinfections with the chicken anemia virus.Virus Res2008 Oct18656506
Molecular detection of bovine and porcine Torque teno virus in plasma and feces.Vet Microbiol2008 Jan 117723280
Genetic relationship of Torque Teno virus (TTV) between humans and camels inUnited Arab Emirates (UAE).J Med Virol2007 Feb17177296