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Spiroxamine (Standard)

CAT: 0804-HY-121884R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-121884R-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Spiroxamine (Standard) is the analytical standard of Spiroxamine. This product is intended for research and analytical applications. Spiroxamine is a fungicide that can be used to kill grapes with less residue[1].
CAS Number
118134-30-8
UNSPSC
12352005
Hazard Statement
H302+H312+H332, H315, H317, H361, H373, H410
Target
Fungal; Reference Standards
Type
Reference compound
Related Pathways
Anti-infection; Others
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/spiroxamine-standard.html
Purity
99.91
Smiles
CCN(CCC)CC1COC2(O1)CCC(CC2)C(C)(C)C
Molecular Formula
C18H35NO2
Molecular Weight
297.48
Precautions
H302+H312+H332, H315, H317, H361, H373, H410
References & Citations
[1]Tsiropoulos NG, et al. Residues of spiroxamine in grapes following field application and their fate from vine to wine. J Agric Food Chem. 2005 Dec 28;53 (26) :10091-6.|[2]Tsiropoulos NG, et al. Residues of spiroxamine in grapes following field application and their fate from vine to wine. J Agric Food Chem. 2005 Dec 28;53 (26) :10091-6.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, sealed storage, away from light and moisture
Scientific Category
Reference Standards

Chemical Information

Spiroxamine

Spiroxamine is the spiroketal resulting from the formal condensation of 4-tert-butylcyclohexanone with 3-[ethyl(propyl)amino]propane-1,2-diol. An inhibitor of ergosterol synthesis, it is a broad spectrum agricultural fungicide used particularly against powdery mildew in the production of cereals, bananas and grapes. It has a role as a xenobiotic, an environmental contaminant, a sterol biosynthesis inhibitor and an antifungal agrochemical. It is a dioxolane, a tertiary amino compound and a spiroketal.

CAS Number118134-30-8
PubChem CID86160
IUPAC NameN-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine
Molecular FormulaC18H35NO2
Molecular Weight297.5
XLogP4.2
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity316
SMILES
CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C
InChI
InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3
InChIKey
PUYXTUJWRLOUCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spiroxamine
CAS: 118134-30-8
CID: 86160
Formula: C18H35NO2
MW: 297.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.5
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass297.266779359
Monoisotopic Mass297.266779359
Topological Polar Surface Area21.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity316
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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