CID: 16109; 1978-17-2; Methyl fluorophosphoryl homocholine iodide; 3-Trimethylammoniumpropyl methylphosphonofluoridate iodide; MW: 325.100 g/mol; C7H18FINO2P; mouse LD50 intraperitoneal 20 mg/kg
Type : Tammelin ester, Organophosphate, Choline ester
Chemical_Nomenclature : 3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium
Canonical SMILES : C[N+](C)(C)CCCOP(=O)(C)F
InChI : InChI=1S\/C7H18FNO2P\/c1-9(2,3)6-5-7-11-12(4,8)10\/h5-7H2,1-4H3\/q+1
InChIKey : XYNGQJSDVCCUBH-UHFFFAOYSA-N
Other name(s) : methylfluorophosphonylhomocholine, 3-Hydroxypropyl)trimethylammonium ester with methylphosphonofluoridate, Ammonium, (3-Hydroxypropyl)trimethyl, ester with methylphosphonofluoridate, NIOSH\/BR5778200, Methyl fluorophosphoryl homocholine
MW : 198.20
Formula : C7H18FNO2P+
CAS_number : 79351-07-8
PubChem : 16110
UniChem : XYNGQJSDVCCUBH-UHFFFAOYSA-N
Families : MFPhCh ligand of proteins in family
ACHE
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 |
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 |
PubMedID: 14647978 |