EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:39402 - ZXI 8901
| Formula | C26H22BrF2NO4 |
| Net Charge | 0 |
| Average Mass | 530.365 |
| Monoisotopic Mass | 529.07003 |
| SMILES | CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccc(Br)cc2)c1)c1ccc(OC(F)F)cc1 |
| InChI | InChI=1S/C26H22BrF2NO4/c1-16(2)24(17-6-10-21(11-7-17)33-26(28)29)25(31)34-23(15-30)18-4-3-5-22(14-18)32-20-12-8-19(27)9-13-20/h3-14,16,23-24,26H,1-2H3 |
| InChIKey | BUHNCQOJJZAOMJ-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | |
| Applications: | insecticide Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. pesticide Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. acaricide A substance used to destroy pests of the subclass Acari (mites and ticks). pesticide Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. pesticide Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ZXI 8901 (CHEBI:39402) has functional parent 2-(4-hydroxyphenyl)-3-methylbutyric acid (CHEBI:39359) |
| ZXI 8901 (CHEBI:39402) has role pyrethroid ester acaricide (CHEBI:39259) |
| ZXI 8901 (CHEBI:39402) has role pyrethroid ester insecticide (CHEBI:39116) |
| ZXI 8901 (CHEBI:39402) is a organobromine compound (CHEBI:37141) |
| ZXI 8901 (CHEBI:39402) is a organofluorine acaricide (CHEBI:38806) |
| ZXI 8901 (CHEBI:39402) is a organofluorine insecticide (CHEBI:38804) |
| IUPAC Name |
|---|
| [3-(4-bromophenoxy)phenyl](cyano)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate |
| Synonym | Source |
|---|---|
| flubrocythrinate | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 2634 | PPDB |