CHEBI:34304 - fenobucarb

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ChEBI Name fenobucarb
ChEBI ID CHEBI:34304
Definition A carbamate ester obtained by the formal condensation of 2-sec-butylphenol with methylcarbamic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB2724915, eMolecules:509860, ZINC000000097471
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Aspartame is an artificial non-saccharide sweetener commonly used as a sugar substitute in foods and beverages. 200 times sweeter than sucrose, it is a methyl ester of the aspartic acid/phenylalanine dipeptide with brand names NutraSweet, Equal, and Canderel. Discovered in 1965, aspartame was approved by the US Food and Drug Administration (FDA) in 1974 and re-approved in 1981 after its initial approval was briefly revoked. Aspartame is one of the most studied food additives in the human food supply. Reviews by over 100 governmental regulatory bodies found the ingredient safe for consumption at the normal acceptable daily intake limit.
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Formula C12H17NO2
Net Charge 0
Average Mass 207.26892
Monoisotopic Mass 207.12593
InChI InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)
InChIKey DIRFUJHNVNOBMY-UHFFFAOYSA-N
SMILES CCC(C)c1ccccc1OC(=O)NC
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
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.
Application(s): 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.
agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
herbicide
A substance used to destroy plant pests.
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ChEBI Ontology
Outgoing fenobucarb (CHEBI:34304) has functional parent 2-sec-butylphenol (CHEBI:34303)
fenobucarb (CHEBI:34304) has functional parent methylcarbamic acid (CHEBI:45379)
fenobucarb (CHEBI:34304) has role agrochemical (CHEBI:33286)
fenobucarb (CHEBI:34304) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
fenobucarb (CHEBI:34304) has role environmental contaminant (CHEBI:78298)
fenobucarb (CHEBI:34304) has role herbicide (CHEBI:24527)
fenobucarb (CHEBI:34304) has role insecticide (CHEBI:24852)
fenobucarb (CHEBI:34304) is a carbamate ester (CHEBI:23003)
IUPAC Name
2-(butan-2-yl)phenyl methylcarbamate
Synonyms Sources
2-(1-methylpropyl)phenyl methylcarbamate IUPAC
2-sec-Butylphenyl methylcarbamate ChemIDplus
2-sec-Butylphenyl N-methylcarbamate KEGG COMPOUND
2-sec-Butylphenyl N-methylcarbamate KEGG COMPOUND
BPMC KEGG COMPOUND
Fenobucarb KEGG COMPOUND
Methylcarbamic acid o-sec-butylphenyl ester ChemIDplus
Manual Xrefs Databases
1183 PPDB
C14425 KEGG COMPOUND
Fenobucarb Wikipedia
View more database links
Registry Numbers Types Sources
2052332 Reaxys Registry Number Reaxys
3766-81-2 CAS Registry Number ChemIDplus
3766-81-2 CAS Registry Number NIST Chemistry WebBook
Citations Types Sources
19089593 PubMed citation Europe PMC
24553419 PubMed citation Europe PMC
6510612 PubMed citation Europe PMC
Last Modified
28 July 2014