VS

General

Type : Chemical Warfare Agent, Organophosphate, Nerve Agent V-series, Sulfur Compound

Chemical_Nomenclature : N-[2-[ethoxy(ethyl)phosphoryl]sulfanylethyl]-N-propan-2-ylpropan-2-amine

Canonical SMILES : CCOP(=O)(CC)SCCN(C(C)C)C(C)C

InChI : InChI=1S\/C12H28NO2PS\/c1-7-15-16(14,8-2)17-10-9-13(11(3)4)12(5)6\/h11-12H,7-10H2,1-6H3

InChIKey : KQIZEWYIQBLXPT-UHFFFAOYSA-N

Other name(s) : O-ethyl-S-2-(N,N-diisopropylamino)ethyl ethylthiophosphonate, AC1LB2EJ, EA-1677, SCHEMBL8079681, O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate, O-Ethyl S-2-(diisopropylamino)ethyl ethylphosphonothiolate, S-[2-(Diisopropylamino)ethyl] o-ethyl ethylphosphonothioate


MW : 281.39

Formula : C12H28NO2PS

CAS_number : 73835-17-3

PubChem : 575137

UniChem : KQIZEWYIQBLXPT-UHFFFAOYSA-N

Target

Families : VS ligand of proteins in family
ACHE BCHE

References (2)

Title : The prediction of acute toxicity (LD(50)) for organophosphorus-based chemical warfare agents (V-series) using toxicology in silico methods - Noga_2023_Arch.Toxicol__
Author(s) : Noga M , Michalska A , Jurowski K
Ref : Archives of Toxicology , : , 2023
PubMedID: 38051368

Title : Determination of the structural features of O-alkyl-S-2-(N,N-dialkylamino) ethyl alkylthiophosphonates from their electron ionization mass spectra - Terentyev_2016_J.Anal.Chem_71_1266
Author(s) : Terentyev AG , Morozik YI , Rybal'chenko IV , Dudkin AV , Smirnov AO , Galyaev GV
Ref : Journal of Analytical Chemistry , 71 :1266 , 2016
PubMedID: