MFPbetaCh

CID 19748, C7H18FINO2P, 3873-20-9; Methyl fluorophosphoryl beta-methylcholine iodide; 2-Trimethylammonium-1-methylethyl methylphosphonofluoridate iodide. mouse LD50 intraperitoneal 14 mg/kg

General

Type : Tammelin ester,Organophosphate,Choline ester

Chemical_Nomenclature : 2-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium

Canonical SMILES : CC(C[N+](C)(C)C)OP(=O)(C)F

InChI : InChI=1S\/C7H18FNO2P\/c1-7(6-9(2,3)4)11-12(5,8)10\/h7H,6H2,1-5H3\/q+1

InChIKey : KNUWEQNYQILYOW-UHFFFAOYSA-N

Other name(s) : methylfluorophosphonyl-beta-methylcholine,(2-Hydroxypropyl)trimethylammonium ester with methylphosphonofluoridate,Ammonium, (2-Hydroxypropyl)trimethyl, ester with methylphosphonofluoridate,NIOSH\/BR5778100,DTXSID301000420


MW : 198.20

Formula : C7H18FNO2P+

CAS_number : 79351-08-9

PubChem : 19749

UniChem : KNUWEQNYQILYOW-UHFFFAOYSA-N

IUPHAR :

Wikipedia :

Target

Families : MFPbetaCh ligand of proteins in family: ACHE

Stucture :

Protein :

References (3)

Title : Nontargeted High-Resolution Mass Spectrometric Workflow for the Detection of Butyrylcholinesterase-Derived Adducts with Organophosphorus Toxicants and Structural Characterization of Their Phosphyl Moiety after In-Source Fragmentation - John_2022_Anal.Chem__
Author(s) : John H , Dentzel M , Siegert M , Thiermann H
Ref : Analytical Chemistry , : , 2022
Abstract : John_2022_Anal.Chem__
ESTHER : John_2022_Anal.Chem__
PubMedSearch : John_2022_Anal.Chem__
PubMedID: 35041786

Title : Reactivation and aging kinetics of human acetylcholinesterase inhibited by organophosphonylcholines - Worek_2004_Arch.Toxicol_78_212
Author(s) : Worek F , Thiermann H , Szinicz L
Ref : Archives of Toxicology , 78 :212 , 2004
Abstract : Worek_2004_Arch.Toxicol_78_212
ESTHER : Worek_2004_Arch.Toxicol_78_212
PubMedSearch : Worek_2004_Arch.Toxicol_78_212
PubMedID: 14647978

Title : [Quantitative structure-toxicity relationships of phosphoric acid esters] -
Author(s) : Mager PP , Seese A
Ref : Pharmazie , 35 :806 , 1980
PubMedID: 7208588