CHEBI:3014 - benfuracarb

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name benfuracarb
ChEBI ID CHEBI:3014
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H30N2O5S
Net Charge 0
Average Mass 410.52868
Monoisotopic Mass 410.18754
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
SMILES CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12)C(C)C
Roles Classification
Biological Role(s): 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.
Application(s): 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.
agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
Aminofuracarb ChemIDplus
Benfuracarb KEGG COMPOUND
N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(1-methylethyl)-β-alanine, ethyl ester ChemIDplus
Manual Xrefs Databases
63 PPDB
C11073 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
82560-54-1 CAS Registry Number KEGG COMPOUND
82560-54-1 CAS Registry Number ChemIDplus
8347990 Beilstein Registry Number Beilstein
Last Modified
02 March 2015