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CHEBI:140425 - A-234 nerve agent

ChEBI IDCHEBI:140425
ChEBI NameA-234 nerve agent
Stars
DefinitionA carboxamidine that is N,N-diethylethanimidamide in which the hydrogen attached to the imino nitrogen has been replaced by a fluoro(ethoxy)phosphoryl group. A toxic nerve agent developed by the former Soviet Union.
Last Modified15 March 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC8H18FN2O2P
Net Charge0
Average Mass224.216
Monoisotopic Mass224.10899
SMILESCCOP(=O)(F)N=C(C)N(CC)CC
InChIInChI=1S/C8H18FN2O2P/c1-5-11(6-2)8(4)10-14(9,12)13-7-3/h5-7H2,1-4H3
InChIKeySBPSVLLDDYOPDZ-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.
neurotoxin  A poison that interferes with the functions of the nervous system.
ChEBI Ontology
Outgoing Relation(s)
A-234 nerve agent (CHEBI:140425) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
A-234 nerve agent (CHEBI:140425) has role neurotoxin (CHEBI:50910)
A-234 nerve agent (CHEBI:140425) is a carboxamidine (CHEBI:35359)
A-234 nerve agent (CHEBI:140425) is a fluorine molecular entity (CHEBI:24062)
A-234 nerve agent (CHEBI:140425) is a organic phosphoramidate (CHEBI:37773)
IUPAC Name 
ethyl N-[1-(diethylamino)ethylidene]phosphoramidofluoridate
Synonym  Source
A-234ChEBI