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Sethoxydim (Standard)

CAT: 0804-HY-135753RSize: 1 EachDry Ice: NoHazardous: No
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Description
Sethoxydim (Standard) is the analytical standard of Sethoxydim. This product is intended for research and analytical applications. Sethoxydim is a postemergent herbicide. Sethoxydim inhibits plant acetyl-coenzyme A carboxylase (ACCase) activity[1][2].
CAS Number
74051-80-2
Product Name Alternative
BAS 9052 (Standard)
UNSPSC
12352211
Target
Acetyl-CoA Carboxylase; Reference Standards
Type
Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/sethoxydim-standard.html
Smiles
O=C1C(/C(CCC)=N\OCC)=C(O)CC(CC(SCC)C)C1
Molecular Formula
C17H29NO3S
Molecular Weight
327.48
References & Citations
[1]Burton JD, et al. Inhibition of plant acetyl-coenzyme A carboxylase by the herbicides sethoxydim and haloxyfop. Biochem Biophys Res Commun. 1987 Nov 13;148 (3) :1039-44. |[2]Belkebir A, et al. Sethoxydim treatment inhibits lipid metabolism and enhances the accumulation of anthocyanins in rape (Brassica napus L.) leaves. Pestic Biochem Physiol. 2013 Sep;107 (1) :120-6.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Sethoxydim

Sethoxydim is an organic hydroxy compound.

CAS Number74051-80-2
PubChem CID135491830
IUPAC Name2-[(E)-N-ethoxy-C-propylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one
Molecular FormulaC17H29NO3S
Molecular Weight327.5
XLogP3.6
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity432
SMILES
CCC/C(=N\OCC)/C1=C(CC(CC1=O)CC(C)SCC)O
InChI
InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3/b18-14+
InChIKey
CSPPKDPQLUUTND-NBVRZTHBSA-N
Chemical Structure
2D Structure
2D structure of Sethoxydim
CAS: 74051-80-2
CID: 135491830
Formula: C17H29NO3S
MW: 327.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight327.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass327.18681496
Monoisotopic Mass327.18681496
Topological Polar Surface Area84.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity432
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes