EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:140422 - VR nerve agent

ChEBI IDCHEBI:140422
ChEBI NameVR nerve agent
Stars
DefinitionA organic thiophosphate that is the isobutyl ester of S-[2-(diethylamino)ethyl] O hydrogen methylphosphonothioate. A toxic nerve agent developed by the former Soviet Union.
Last Modified15 March 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC11H26NO2PS
Net Charge0
Average Mass267.375
Monoisotopic Mass267.14219
SMILESCCN(CC)CCSP(C)(=O)OCC(C)C
InChIInChI=1S/C11H26NO2PS/c1-6-12(7-2)8-9-16-15(5,13)14-10-11(3)4/h11H,6-10H2,1-5H3
InChIKeyMNLAVFKVRUQAKW-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
VR nerve agent (CHEBI:140422) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
VR nerve agent (CHEBI:140422) has role neurotoxin (CHEBI:50910)
VR nerve agent (CHEBI:140422) is a organic thiophosphate (CHEBI:37512)
VR nerve agent (CHEBI:140422) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
S-[2-(diethylamino)ethyl] O-(2-methylpropyl) methylphosphonothioate
Synonyms  Source
VRChemIDplus
S-(N,N-DEA)IMPTChemIDplus
O-(iso-butyl) S-(2-diethylaminoethyl) methylphosphonothiolateNIST Chemistry WebBook
R-33ChemIDplus
RVXChemIDplus
R-VXChemIDplus
Manual XrefsDatabases
VR_(nerve_agent)Wikipedia
Registry NumbersSources
CAS:159939-87-4ChemIDplus
CAS:159939-87-4NIST Chemistry WebBook
Citations