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EA-4056

General

Type : Carbamate,Chemical Warfare Agent,Trimethylammonium,Bisquaternary,Nerve Agent Carbamate

Chemical_Nomenclature : N1,N9-Bis({3-[(dimethylcarbamoyl)oxy]pyridin-2-yl}methyl)-N1,N1,N9,N9-tetramethylnonane-1,9-bis(aminium) dibromide

Canonical SMILES : Br-].[Br-].CN(C)C(=O)Oc1cccnc1C[N+](C)(C)CCCCCCCCC[N+](C)(C)Cc2ncccc2OC(=O)N(C)C

InChI : InChI=1S\/C31H52N6O4.2BrH\/c1-34(2)30(38)40-28-18-16-20-32-26(28)24-36(5,6)22-14-12-10-9-11-13-15-23-37(7,8)25-27-29(19-17-21-33-27)41-31(39)35(3)4\;\;\/h16-21H,9-15,22-25H2,1-8H3\;2*1H\/q+2\;\;\/p-2

InChIKey : AQIHLGWYYFRMKZ-UHFFFAOYSA-L

Other name(s) : 1,9-Bis[methyl-2(3-dimethylcarbamoxypyridyl)methylamino]nonane dimethobromide

MW : 732.6

Formula : C31H52N6O4Br2

CAS_number : 110913-96-7

PubChem :

UniChem : AQIHLGWYYFRMKZ-UHFFFAOYSA-L

Wikipedia : EA-4056

Target

Families : EA-4056 ligand of proteins in family
ACHE

References (1)

Title : Acetylcholinesterase inhibitors: pharmacology and toxicology - Colovic_2013_Curr.Neuropharmacol_11_315
Author(s) : Colovic MB , Krstic DZ , Lazarevic-Pasti TD , Bondzic AM , Vasic VM
Ref : Curr Neuropharmacol , 11 :315 , 2013
Abstract : Colovic_2013_Curr.Neuropharmacol_11_315
ESTHER : Colovic_2013_Curr.Neuropharmacol_11_315
PubMedSearch : Colovic_2013_Curr.Neuropharmacol_11_315
PubMedID: 24179466 
Array
(
    [id] => 1563
    [inhibitor] => EA-4056
    [type] => Array
        (
            [0] => Carbamate
            [1] => Chemical Warfare Agent
            [2] => Trimethylammonium
            [3] => Bisquaternary
            [4] => Nerve Agent Carbamate
        )

    [other_name] => Array
        (
            [0] => 1,9-Bis[methyl-2(3-dimethylcarbamoxypyridyl)methylamino]nonane dimethobromide
        )

    [chemical_nomenclature] => N1,N9-Bis({3-[(dimethylcarbamoyl)oxy]pyridin-2-yl}methyl)-N1,N1,N9,N9-tetramethylnonane-1,9-bis(aminium) dibromide
    [formula] => C31H52N6O4Br2
    [cas_number] => 110913-96-7
    [mw] => 732.6
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Colovic_2013_Curr.Neuropharmacol_11_315
    [comment] => 
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 
    [family] => ACHE
    [inchikey] => AQIHLGWYYFRMKZ-UHFFFAOYSA-L
    [canonicalsmiles] => Br-].[Br-].CN(C)C(=O)Oc1cccnc1C[N+](C)(C)CCCCCCCCC[N+](C)(C)Cc2ncccc2OC(=O)N(C)C
    [inchi] => InChI=1S\/C31H52N6O4.2BrH\/c1-34(2)30(38)40-28-18-16-20-32-26(28)24-36(5,6)22-14-12-10-9-11-13-15-23-37(7,8)25-27-29(19-17-21-33-27)41-31(39)35(3)4\;\;\/h16-21H,9-15,22-25H2,1-8H3\;2*1H\/q+2\;\;\/p-2
    [wikipedia] => EA-4056
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)