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Reactivator Report for: HI-6

General
Type Oxime, Bispyridinium, Carboxamide, Hagedorn Oxime
Chemical_Nomenclature [(E)-[1-[(4-carbamoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-2-ylidene]methyl]-oxoazanium;dichloride
Canonical SMILES C1=CC(=C[NH+]=O)N(C=C1)COC[N+]2=CC=C(C=C2)C(=O)N.[Cl-].[Cl-] C1=CC=[N+](C(=C1)C=NO)COC[N+]2=CC=C(C=C2)C(=O)N.[Cl-].[Cl-] CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=CC=[N+](C(=C1)C=NO)COC[N+]2=CC=C(C=C2)C(=O)N
InChI InChI=1S/C14H14N4O3.2ClH/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20;;/h1-9H,10-11H2,(H-,15,19);2*1H/b13-9+;; InChI=1S/C14H14N4O3.2ClH/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20;;/h1-9H,10-11H2,(H-,15,19);2*1H InChI=1S/C14H14N4O3.2CH4O3S/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20;2*1-5(2,3)4/h1-9H,10-11H2,(H-,15,19);2*1H3,(H,2,3,4)
InChIKey QELSIJXWEROXOE-IGUOPLJTSA-N QELSIJXWEROXOE-UHFFFAOYSA-N KSZUKDJWBYNHBO-UHFFFAOYSA-N
Other name(s) 1-(((4-(aminocarbonyl)pyridinio)methoxy)methyl)-2-((hydr oxyimino)methyl pyridinium dichloride monohydrate 1,1'-[oxybis(methylene)]-[4-carbamoyl-2'-(hydroxyimino)methyl]pyridinium dichloride ; Asoxime chloride ; Asoxime ; CCRIS 7699 ; HJ 6 ; HI 6 ; UNII-HUV88P6SJS ; HUV88P6SJS ; HI-6 Dichloride ; Asoxime (dichloride) ; SCHEMBL667540 ; SCHEMBL840733 ; SCHEMBL20917382 ; Asoxime dimethanesulfonate ; Q27290555
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MW|359.20
Formula|C14H16Cl2N4O3
CAS_number|34433-31-3
PubChem|135444627, 6101642, 135590422
UniChem|QELSIJXWEROXOE-IGUOPLJTSA-N, QELSIJXWEROXOE-UHFFFAOYSA-N, KSZUKDJWBYNHBO-UHFFFAOYSA-N
IUPHAR|
Wikipedia|Asoxime_chloride

Target
Stucture | 17 structures (e.g. : 6WVO, 6WUY, 6WV1... more)

References:
Search PubMed for references concerning: HI-6

55 more
    Title: Covalent inhibition of hAChE by organophosphates causes homodimer dissociation through long-range allosteric effects
    Blumenthal DK, Cheng X, Fajer M, Ho KY, Rohrer J, Gerlits O, Taylor P, Juneja P, Kovalevsky A, Radic Z
    Ref: Journal of Biological Chemistry, :101007, 2021 : PubMed

            

    Title: Synthesis of monooxime-monocarbamoyl bispyridinium compounds bearing (E)-but-2-ene linker and evaluation of their reactivation activity against tabun- and paraoxon-inhibited acetylcholinesterase
    Musilek K, Holas O, Kuca K, Jun D, Dohnal V, Opletalova V, Dolezal M
    Ref: J Enzyme Inhib Med Chem, 23:70, 2008 : PubMed

            

    Title: [Reactivation of phosphorylated acetylcholine esterase with oximes: contribution to the study of the reaction course]
    Hagedorn I, Gundel WH, Schoene K
    Ref: Arzneimittelforschung, 19:603, 1969 : PubMed

            


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