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Desmedipham (Standard)

CAT: 0804-HY-116482RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-116482RSize:1 Each
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Description
Desmedipham (Standard) is the analytical standard of Desmedipham. This product is intended for research and analytical applications. Desmedipham is a selective systemic phenyl-carbamate herbicide. Desmedipham acts by disrupting CO2 fixation and the production of intermediary energy components-ATP and NADPH2 and inhibition of Hill reaction[1].
CAS Number
13684-56-5
UNSPSC
12352005
Target
Herbicide; Insecticide; Reference Standards
Type
Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/desmedipham-standard.html
Smiles
O=C(NC1=CC=CC(OC(NC2=CC=CC=C2)=O)=C1)OCC
Molecular Formula
C16H16N2O4
Molecular Weight
300.31
References & Citations
[1]Tânia Vidal, et al. Acute and Chronic Toxicity of Betanal (®) Expert and Its Active Ingredients on Nontarget Aquatic Organisms From Different Trophic Levels. Environ Toxicol. 2012 Sep;27 (9) :537-48.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Desmedipham

Desmedipham is a carbamate ester that is phenylcarbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(ethoxycarbonyl)amino]phenyl group. It is an agrochemical used as a herbicide. It has a role as a herbicide, an agrochemical, a xenobiotic and an environmental contaminant. It is functionally related to a phenylcarbamic acid.

CAS Number13684-56-5
PubChem CID24743
IUPAC Name[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate
Molecular FormulaC16H16N2O4
Molecular Weight300.31
XLogP3.4
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity369
SMILES
CCOC(=O)NC1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)
InChIKey
WZJZMXBKUWKXTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Desmedipham
CAS: 13684-56-5
CID: 24743
Formula: C16H16N2O4
MW: 300.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.31
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass300.11100700
Monoisotopic Mass300.11100700
Topological Polar Surface Area76.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity369
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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