CHEBI:38729 - naled

ChEBI IDCHEBI:38729
ChEBI Namenaled
Stars
DefinitionAn dialkyl phosphate resulting from the formal condensation of the acidic hydroxy group of dimethyl hydrogen phosphate with the alcoholic hydroxy group of 1,2-dibromo-2,2-dichloroethanol. An organophosphate insecticide, it is no longer approved for use within the European Union.
Last Modified7 July 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC4H7Br2Cl2O4P
Net Charge0
Average Mass380.784
Monoisotopic Mass377.78257
SMILESCOP(=O)(OC)OC(Br)C(Cl)(Cl)Br
InChIInChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3
InChIKeyBUYMVQAILCEWRR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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.
EC 3.1.1.8 (cholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8).
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
Applications:
acaricide  A substance used to destroy pests of the subclass Acari (mites and ticks).
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
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.
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)
naled (CHEBI:38729) has role acaricide (CHEBI:22153)
naled (CHEBI:38729) has role agrochemical (CHEBI:33286)
naled (CHEBI:38729) has role antibacterial agent (CHEBI:33282)
naled (CHEBI:38729) has role antifungal agent (CHEBI:35718)
naled (CHEBI:38729) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
naled (CHEBI:38729) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
naled (CHEBI:38729) is a dialkyl phosphate (CHEBI:16648)
naled (CHEBI:38729) is a organobromine compound (CHEBI:37141)
naled (CHEBI:38729) is a organochlorine compound (CHEBI:36683)
naled (CHEBI:38729) is a organophosphate insecticide (CHEBI:25708)
IUPAC Name 
1,2-dibromo-2,2-dichloroethyl dimethyl phosphate
Synonyms  Source
dimethyl-1,2-dibromo-2,2-dichloroethyl phosphatePatent
O-(1,2-dibromo-2,2-dichloroethyl)-O,O-dimethyl phosphateNIST Chemistry WebBook
O,O-dimethyl O-2,2-dichloro-1,2-dibromoethyl phosphateChemIDplus
phosphoric acid, 1,2-dibromo-2,2-dichloroethyl dimethyl esterChemIDplus
Brand Names  Source
BromexChemIDplus
DibromChemIDplus
Ortho-DibromNIST Chemistry WebBook
Manual XrefsDatabases
480PPDB
C18749KEGG COMPOUND
GB855157Patent
naledAlan Wood's Pesticides
NaledWikipedia
US2971882Patent
Registry NumbersSources
Beilstein:2049930Beilstein
CAS:300-76-5KEGG COMPOUND
CAS:300-76-5NIST Chemistry WebBook
CAS:300-76-5ChemIDplus