VR nerve agent (CHEBI:140422)

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ChEBI Name	VR nerve agent

ChEBI ID	CHEBI:140422

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C11H26NO2PS

Net Charge

Average Mass

267.370

Monoisotopic Mass

267.14219

InChI

InChI=1S/C11H26NO2PS/c1-6-12(7-2)8-9-16-15(5,13)14-10-11(3)4/h11H,6-10H2,1-5H3

InChIKey

MNLAVFKVRUQAKW-UHFFFAOYSA-N

SMILES

P(=O)(SCCN(CC)CC)(OCC(C)C)C

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	neurotoxin A poison that interferes with the functions of the nervous system. 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.

ChEBI Ontology
Outgoing	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	Sources
O-(iso-butyl) S-(2-diethylaminoethyl) methylphosphonothiolate	NIST Chemistry WebBook
O-isobutyl S-[2-(diethylamino)ethyl] methylphosphonothioate	ChEBI
R 33	ChemIDplus
R-33	ChemIDplus
R-VX	ChemIDplus
Russian VX	ChemIDplus
RVX	ChemIDplus
S-(N,N-DEA)IMPT	ChemIDplus
VR	ChemIDplus

Last Modified

15 March 2018