EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:81733 - desmedipham
| Formula | C16H16N2O4 |
| Net Charge | 0 |
| Average Mass | 300.314 |
| Monoisotopic Mass | 300.11101 |
| SMILES | CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1 |
| 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 |
| 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. |
| Applications: | agrochemical An agrochemical is a substance that is used in agriculture or horticulture. herbicide A substance used to destroy plant pests. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| 3-[(ethoxycarbonyl)amino]phenyl phenylcarbamate | IUPAC |
| Ethyl 3'-phenylcarbamoyloxycarbanilate | ChemIDplus |
| 3-Ethoxycarbonylaminophenyl-N-phenylcarbamate | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C18417 | KEGG COMPOUND |
| desmedipham | Alan Wood's Pesticides |
| 207 | PPDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2395716 | Reaxys |
| CAS:13684-56-5 | KEGG COMPOUND |
| CAS:13684-56-5 | ChemIDplus |
| Citations |
|---|