EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:81734 - phenmedipham

ChEBI IDCHEBI:81734
ChEBI Namephenmedipham
Stars
DefinitionA carbamate ester that is (3-methylphenyl)carbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(methoxycarbonyl)amino]phenyl group.
Last Modified14 November 2014
DownloadsMolfile
FormulaC16H16N2O4
Net Charge0
Average Mass300.314
Monoisotopic Mass300.11101
SMILESCOC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKeyIDOWTHOLJBTAFI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
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:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
phenmedipham (CHEBI:81734) has role environmental contaminant (CHEBI:78298)
phenmedipham (CHEBI:81734) has role herbicide (CHEBI:24527)
phenmedipham (CHEBI:81734) has role xenobiotic (CHEBI:35703)
phenmedipham (CHEBI:81734) is a carbamate ester (CHEBI:23003)
Synonyms  Source
3-methoxycarbonyl-N-(3'-methylphenyl)-carbamateChemIDplus
3-[(methoxycarbonyl)amino]phenyl (3-methylphenyl)carbamateChEBI
3-(methoxyformamido)phenyl (3-methylphenyl)carbamateAlan Wood's Pesticides
methyl 3-(3-methylcarbaniloyloxy)carbanilateAlan Wood's Pesticides
Manual XrefsDatabases
C18420KEGG COMPOUND
phenmediphamAlan Wood's Pesticides
516PPDB
Registry NumbersSources
Reaxys:2395027Reaxys
CAS:13684-63-4KEGG COMPOUND
CAS:13684-63-4ChemIDplus
Citations