desmedipham (CHEBI:81733)

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ChEBI Name	desmedipham

ChEBI ID	CHEBI:81733

Definition	A carbamate ester that is phenylcarbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(ethoxycarbonyl)amino]phenyl group.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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

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Formula

C16H16N2O4

Net Charge

Average Mass

300.30920

Monoisotopic Mass

300.11101

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

SMILES

CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects.

Biological Role(s):	xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

Application(s):	herbicide A substance used to destroy plant pests. agrochemical An agrochemical is a substance that is used in agriculture or horticulture.

ChEBI Ontology
Outgoing	desmedipham (CHEBI:81733) has functional parent phenylcarbamic acid (CHEBI:52496) desmedipham (CHEBI:81733) has role agrochemical (CHEBI:33286) desmedipham (CHEBI:81733) has role environmental contaminant (CHEBI:78298) desmedipham (CHEBI:81733) has role herbicide (CHEBI:24527) desmedipham (CHEBI:81733) has role xenobiotic (CHEBI:35703) desmedipham (CHEBI:81733) is a carbamate ester (CHEBI:23003)

Synonyms	Sources
3-[(ethoxycarbonyl)amino]phenyl phenylcarbamate	IUPAC
3-Ethoxycarbonylaminophenyl-N-phenylcarbamate	ChemIDplus
Ethyl 3'-phenylcarbamoyloxycarbanilate	ChemIDplus

Last Modified

17 November 2014