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CHEBI:3014 - benfuracarb
| Formula | C20H30N2O5S |
| Net Charge | 0 |
| Average Mass | 410.536 |
| Monoisotopic Mass | 410.18754 |
| SMILES | CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C |
| InChI | InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3 |
| InChIKey | FYZBOYWSHKHDMT-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | EC 3.1.1.7 (acetylcholinesterase) inhibitor An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid. carbamate insecticide Derivatives of carbamic acid with insecticidal properties of general formula ROC(=O)NR1R2, where ROH is an alcohol, oxime, or phenol and R1 is hydrogen or methyl. Like organophosphate insecticides, they are cholinesterase inhibitors, but carbamate insecticides differ in action from the organophosphates in that the inhibitory effect on cholinesterase is generally brief. |
| Applications: | agrochemical An agrochemical is a substance that is used in agriculture or horticulture. carbamate insecticide Derivatives of carbamic acid with insecticidal properties of general formula ROC(=O)NR1R2, where ROH is an alcohol, oxime, or phenol and R1 is hydrogen or methyl. Like organophosphate insecticides, they are cholinesterase inhibitors, but carbamate insecticides differ in action from the organophosphates in that the inhibitory effect on cholinesterase is generally brief. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| benfuracarb (CHEBI:3014) has role agrochemical (CHEBI:33286) |
| benfuracarb (CHEBI:3014) has role carbamate insecticide (CHEBI:38461) |
| benfuracarb (CHEBI:3014) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) |
| benfuracarb (CHEBI:3014) is a 1-benzofurans (CHEBI:38830) |
| benfuracarb (CHEBI:3014) is a carbamate ester (CHEBI:23003) |
| benfuracarb (CHEBI:3014) is a ethyl ester (CHEBI:23990) |
| IUPAC Name |
|---|
| ethyl 3-[{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}(1-methylethyl)amino]propanoate |
| Synonyms | Source |
|---|---|
| Benfuracarb | KEGG COMPOUND |
| Aminofuracarb | ChemIDplus |
| N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(1-methylethyl)-β-alanine, ethyl ester | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:8347990 | Beilstein |
| CAS:82560-54-1 | KEGG COMPOUND |
| CAS:82560-54-1 | ChemIDplus |