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Spiroxamine

CAT: 1596-AR-S10793-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S10793-01Size:10 Units
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CAS Number
118134-30-8
Molecular Formula
C18H35NO2
Molecular Weight
297.48
API Name
Spiroxamine

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

Alternative Products

CatalogName
MBS5785103Spiroxamine
HY-W749510-01Spiroxamine-d4
S-5469Spiroxamine - 1ML
HY-121884R-01Spiroxamine (Standard)
TRC-S683501-25MGSpiroxamine-d5
LCS-54691000 ug/mL Spiroxamine in LCMS Acetonitrile - 1ML
P851570Spiroxamine [CAS:118134-30-8] 100 ug/ml in Acetonitrile

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