K107

General

Type : Oxime, Bisoxime, Bispyridinium

Chemical_Nomenclature : (NZ)-N-[[1-[[3-[[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-2-yl]methylidene]hydroxylamine\;dibromide, (NE)-N-[[1-[[3-[[2-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-2-yl]methylidene]hydroxylamine

Canonical SMILES : C1=CC=[N+](C(=C1)\/C=N\/O)CC2=CC(=CC=C2)C[N+]3=CC=CC=C3\/C=NO.[Br-].[Br-] || C1=CC=[N+](C(=C1)\/C=N\/O)CC2=CC(=CC=C2)C[N+]3=CC=CC=C3\/C=NO

InChI : InChI=1S\/C20H18N4O2.2BrH\/c25-21-13-19-8-1-3-10-23(19)15-17-6-5-7-18(12-17)16-24-11-4-2-9-20(24)14-22-26\;\;\/h1-14H,15-16H2\;2*1H,    InChI=1S\/C20H18N4O2\/c25-21-13-19-8-1-3-10-23(19)15-17-6-5-7-18(12-17)16-24-11-4-2-9-20(24)14-22-26\/h1-14H,15-16H2\/p+2

InChIKey : IDHQIJSLSHYBJG-UHFFFAOYSA-N,    XHPSAVGZGFYFSR-UHFFFAOYSA-P

Other name(s) : Compound 6b  ||  2,2-bis(hydroxyiminomethyl)-1,1-(1,3-phenylenedimethyl)-bispyridinium dibromide


MW : 508.2g\/mol

Formula : C20H20Br2N4O2

CAS_number :

PubChem : 135750262,    135750263

UniChem : IDHQIJSLSHYBJG-UHFFFAOYSA-N,    XHPSAVGZGFYFSR-UHFFFAOYSA-P

Target

Structure : No structure

Families : No family

References (2)

Title : Monooxime Bispyridinium Reactivators Bearing Xylene Linker Synthesis and In Vitro Evaluation on Model of Organophosphate-Inhibited Acetylcholinesterase - Musilek_2016_Med.Chem_12_362
Author(s) : Musilek K , Hambalek J , Holas O , Dohnal V , Kuca K
Ref : Med Chem , 12 :362 , 2016
Abstract :
PubMedSearch : Musilek_2016_Med.Chem_12_362
PubMedID: 26427931

Title : Synthesis of a novel series of bispyridinium compounds bearing a xylene linker and evaluation of their reactivation activity against chlorpyrifos-inhibited acetylcholinesterase - Musilek_2005_J.Enzyme.Inhib.Med.Chem_20_409
Author(s) : Musilek K , Kuca K , Jun D , Dohnal V , Dolezal M
Ref : J Enzyme Inhib Med Chem , 20 :409 , 2005
Abstract :
PubMedSearch : Musilek_2005_J.Enzyme.Inhib.Med.Chem_20_409
PubMedID: 16335048