CHEBI:81733 - desmedipham

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name desmedipham
Definition A carbamate ester that is phenylcarbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(ethoxycarbonyl)amino]phenyl group.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
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Formula C16H16N2O4
Net Charge 0
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)
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.
An agrochemical is a substance that is used in agriculture or horticulture.
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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
Manual Xrefs Databases
207 PPDB
desmedipham Alan Wood's Pesticides
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Registry Numbers Types Sources
13684-56-5 CAS Registry Number ChemIDplus
2395716 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11601459 PubMed citation Europe PMC
21374783 PubMed citation Europe PMC
3412424 PubMed citation Europe PMC
Last Modified
17 November 2014