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CHEBI:82034 - propaquizafop
| Formula | C22H22ClN3O5 |
| Net Charge | 0 |
| Average Mass | 443.887 |
| Monoisotopic Mass | 443.12480 |
| SMILES | CC(C)=NOCCOC(=O)[C@@H](C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1 |
| InChI | InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1 |
| InChIKey | FROBCXTULYFHEJ-OAHLLOKOSA-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. phenoxy herbicide Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| propaquizafop (CHEBI:82034) has role agrochemical (CHEBI:33286) |
| propaquizafop (CHEBI:82034) has role environmental contaminant (CHEBI:78298) |
| propaquizafop (CHEBI:82034) has role phenoxy herbicide (CHEBI:60575) |
| propaquizafop (CHEBI:82034) has role xenobiotic (CHEBI:35703) |
| propaquizafop (CHEBI:82034) is a aromatic ether (CHEBI:35618) |
| propaquizafop (CHEBI:82034) is a carboxylic ester (CHEBI:33308) |
| propaquizafop (CHEBI:82034) is a organochlorine compound (CHEBI:36683) |
| propaquizafop (CHEBI:82034) is a oxime O-ether (CHEBI:36816) |
| propaquizafop (CHEBI:82034) is a quinoxaline derivative (CHEBI:38771) |
| IUPAC Name |
|---|
| 2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate |
| Synonyms | Source |
|---|---|
| 2-[[(1-methylethylidene)amino]oxy]ethyl (2R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoate | Alan Wood's Pesticides |
| 2-isopropylideneaminooxyethyl (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate | Alan Wood's Pesticides |
| Manual Xrefs | Databases |
|---|---|
| C18886 | KEGG COMPOUND |
| propaquizafop | Alan Wood's Pesticides |
| WO2010017929 | Patent |
| EP2243362 | Patent |
| EP2243363 | Patent |
| 546 | PPDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:9805275 | Reaxys |
| CAS:111479-05-1 | KEGG COMPOUND |
| CAS:111479-05-1 | ChemIDplus |
| Citations |
|---|