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MSPI

imidazolium

General

Type : Organophosphate,Imidazole,Sulfur Compound

Chemical_Nomenclature : 1-Methyl-S-(3-methylthiophosphoryl)imidazolium

Canonical SMILES : C[N+]1=CN(C=C1)P(=O)([O-])SC

InChI : InChI=1S\/C5H9N2O2PS\/c1-6-3-4-7(5-6)10(8,9)11-2\/h3-5H,1-2H3

InChIKey : QSLFDILMORXPKP-UHFFFAOYSA-N

Other name(s) : 1-Methyl-S-(3-methylthiophosphoryl)imidazolium \;BRN 3964200,Methyl-1-(S-methylphosphoryl-3) imidazolium,BRN 3964200,1-Methyl-S-(3-methylthiophosphoryl)imidazolium,1H-Imidazolium, 1-(hydroxy(methylthio)phosphinyl)-3-methyl-, hydroxide, inner salt

MW : 192.18

Formula : C5H9N2O2PS

CAS_number : 70951-04-1

PubChem : 51213

UniChem : QSLFDILMORXPKP-UHFFFAOYSA-N

Target

Families : MSPI ligand of proteins in family
ACHE BCHE

References (1)

Title : In vivo and in vitro inhibition of cholinesterase by methyl-1 (S methyl phosphoryl-3) imidazolium (MSPI), a model of an instantly aged phosphorylated enzyme - Chabrier_1980_Arch.Toxicol_45_15
Author(s) : Chabrier PE , Jacob J
Ref : Archives of Toxicology , 45 :15 , 1980
Abstract : Chabrier_1980_Arch.Toxicol_45_15
ESTHER : Chabrier_1980_Arch.Toxicol_45_15
PubMedSearch : Chabrier_1980_Arch.Toxicol_45_15
PubMedID: 7396718 
Array
(
    [id] => 4584
    [inhibitor] => MSPI
    [type] => Array
        (
            [0] => Organophosphate
            [1] => Imidazole
            [2] => Sulfur Compound
        )

    [other_name] => Array
        (
            [0] => 1-Methyl-S-(3-methylthiophosphoryl)imidazolium \;BRN 3964200
            [1] => Methyl-1-(S-methylphosphoryl-3) imidazolium
            [2] => BRN 3964200
            [3] => 1-Methyl-S-(3-methylthiophosphoryl)imidazolium
            [4] => 1H-Imidazolium, 1-(hydroxy(methylthio)phosphinyl)-3-methyl-, hydroxide, inner salt
        )

    [chemical_nomenclature] => 1-Methyl-S-(3-methylthiophosphoryl)imidazolium 
    [formula] => C5H9N2O2PS
    [cas_number] => 70951-04-1
    [mw] => 192.18
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Chabrier_1980_Arch.Toxicol_45_15
    [comment] => imidazolium
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 51213
    [family] => ACHE || BCHE
    [inchikey] => QSLFDILMORXPKP-UHFFFAOYSA-N
    [canonicalsmiles] => C[N+]1=CN(C=C1)P(=O)([O-])SC
    [inchi] => InChI=1S\/C5H9N2O2PS\/c1-6-3-4-7(5-6)10(8,9)11-2\/h3-5H,1-2H3
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)