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MFPhCh

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

General

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

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MW : 198.20

Formula : C7H18FNO2P+

CAS_number : 79351-07-8

PubChem : 16110

UniChem : XYNGQJSDVCCUBH-UHFFFAOYSA-N

Target

Families : MFPhCh ligand of proteins in family
ACHE

References (3)

1. 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

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

2. Reactivation and aging kinetics of human acetylcholinesterase inhibited by organophosphonylcholines

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

3. [Quantitative structure-toxicity relationships of phosphoric acid esters]

Title : [Quantitative structure-toxicity relationships of phosphoric acid esters] -

Author(s) : Mager PP , Seese A

Ref : Pharmazie , 35 :806 , 1980

PubMedID: 7208588

Array
(
    [id] => 1506
    [inhibitor] => MFPhCh
    [type] => Array
        (
            [0] => Tammelin ester
            [1] => Organophosphate
            [2] => Choline ester
        )

    [other_name] => Array
        (
            [0] => methylfluorophosphonylhomocholine
            [1] => 3-Hydroxypropyl)trimethylammonium ester with methylphosphonofluoridate
            [2] => Ammonium, (3-Hydroxypropyl)trimethyl, ester with methylphosphonofluoridate
            [3] => NIOSH\/BR5778200
            [4] => Methyl fluorophosphoryl homocholine
        )

    [chemical_nomenclature] => 3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium
    [formula] => C7H18FNO2P+
    [cas_number] => 79351-07-8
    [mw] => 198.20
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => John_2022_Anal.Chem__ || Worek_2004_Arch.Toxicol_78_212 || Mager_1980_Pharmazie_35_806
    [comment] => 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
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 16110
    [family] => ACHE
    [inchikey] => XYNGQJSDVCCUBH-UHFFFAOYSA-N
    [canonicalsmiles] => 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
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)