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N-saccharinohexylgalanthamine

General

Type : Derivative of Galanthamine, Alkaloid, Natural_modified, Alkyl linked bis-ligand, Sulfur Compound, Benzazepin, Azepane

Chemical_Nomenclature : 2-[8-[(1S,12S,14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0 1,12.0 6,17]heptadeca-6(17),7,9,15-tetraen-4-yl]octyl]-1,1-dioxo-1,2-benzothiazol-3-one

Canonical SMILES : COC1=C2C3=C(CN(CCC34C=CC(CC4O2)O)CCCCCCCCN5C(=O)C6=CC=CC=C6S5(=O)=O)C=C1

InChI : InChI=1S\/C31H38N2O6S\/c1-38-25-13-12-22-21-32(19-16-31-15-14-23(34)20-27(31)39-29(25)28(22)31)17-8-4-2-3-5-9-18-33-30(35)24-10-6-7-11-26(24)40(33,36)37\/h6-7,10-15,23,27,34H,2-5,8-9,16-21H2,1H3\/t23-,27-,31-\/m0\/s1

InChIKey : SUFMWEXOZBWNLL-BDZGNEFQSA-N || FYQHOKTZMNKDAS-IRZDCOEBSA-N

Other name(s) : CHEMBL567472  ||  CHEMBL1794936  ||  BDBM50378567  ||  N-saccharinohexyl-galanthamine

MW : 566.71

Formula : C31H38N2O6S

CAS_number :

PubChem : 45486365,    56682946

UniChem : SUFMWEXOZBWNLL-BDZGNEFQSA-N,    FYQHOKTZMNKDAS-IRZDCOEBSA-N

Target

Families : N-saccharinohexylgalanthamine ligand of proteins in family
ACHE

Structure :
3I6Z

Protein :
torca-ACHE

References (1)

Title : Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives - Bartolucci_2010_J.Med.Chem_53_745
Author(s) : Bartolucci C , Haller LA , Jordis U , Fels G , Lamba D
Ref : Journal of Medicinal Chemistry , 53 :745 , 2010
Abstract :
PubMedSearch : Bartolucci_2010_J.Med.Chem_53_745
PubMedID: 20025280
Gene_locus related to this paper: torca-ACHE