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CHEBI:82090 - carbanolate

Default Structure
ChEBI IDCHEBI:82090
ChEBI Namecarbanolate
Stars
DefinitionA carbamate ester that is phenyl methylcarbamate which is substituted by a chloro group at position 2 and by methyl groups at positions 4 and 5, respectively. It is an insecticide used in the the control of poultry ectoparasites.
Last Modified13 November 2019
DownloadsMolfile
FormulaC10H12ClNO2
Net Charge0
Average Mass213.664
Monoisotopic Mass213.05566
SMILESCNC(=O)Oc1cc(C)c(C)cc1Cl
InChIInChI=1S/C10H12ClNO2/c1-6-4-8(11)9(5-7(6)2)14-10(13)12-3/h4-5H,1-3H3,(H,12,13)
InChIKeyQRTXZGIQTYDABO-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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.
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.
Applications:
acaricide  A substance used to destroy pests of the subclass Acari (mites and ticks).
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)
carbanolate (CHEBI:82090) has role acaricide (CHEBI:22153)
carbanolate (CHEBI:82090) has role carbamate insecticide (CHEBI:38461)
carbanolate (CHEBI:82090) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
carbanolate (CHEBI:82090) is a carbamate ester (CHEBI:23003)
carbanolate (CHEBI:82090) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name 
2-chloro-4,5-dimethylphenyl methylcarbamate
Synonyms  Source
2-chloro-4,5-dimethylphenyl N-methylcarbamateAlan Wood's Pesticides
2-chloro-4,5-xylyl N-methylcarbamateChemIDplus
3,4-dimethyl-6-chlorophenyl N-methylcarbamateChemIDplus
6-chloro-3,4-dimethylphenyl N-methylcarbamateChemIDplus
6-chloro-3,4-xylyl N-methylcarbamateChemIDplus
6-chloro-3,4-xylyl methylcarbamateAlan Wood's Pesticides
Brand Names  Source
BanolChemIDplus
SOKChemIDplus
Manual XrefsDatabases
1675PPDB
C18950KEGG COMPOUND
carbanolateAlan Wood's Pesticides
Registry NumbersSources
Beilstein:2212762Beilstein
CAS:671-04-5NIST Chemistry WebBook
CAS:671-04-5ChemIDplus
Citations