Uten structure

Uten

[1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxyisoquinolin-6-yl] hydrogen sulfate;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

Also Known As: UTEN|Meglumine papaveroline 6'-sulfonate|KST-1B8530|Papaveroline 6'-sulphonic acid N-methylglucamine salt|1-(3,4-dihydroxybenzyl)-7-hydroxyisoquinolin-6-yl hydrogen sulfate- 1-deoxy-1-(methylamino)-d-glucitol(1:1)|(1r,3s,4r)-1,7,7-trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one|[1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxyisoquinolin-6-yl] hydrogen sulfate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol|1-[(3,4-Dihydroxyphenyl)methyl]-7-hydroxyisoquinolin-6-yl hydrogen sulfate--1-deoxy-1-(methylamino)-D-glucitol (1/1)|1-[(3,4-Dihydroxyphenyl)methyl]-7-hydroxyisoquinolin-6-yl hydrogen sulfate--1-deoxy-1-(methylamino)hexitol (1/1)|D-Glucitol, 1-deoxy-1-(methylamino)-, compd. with 1-((3,4-dihydroxyphenyl)methyl)-6,7-isoquinolinediol 6-(hydrogen sulfate) (1:1)

CAS: 7752-82-1
Molecular Formula C23H30N2O12S
Molecular Weight 558.1519 g/mol
LogP -1.2343
Topological Polar Surface Area 259.0 Ų
Hydrogen Bond Donors 10
Hydrogen Bond Acceptors 14
Rotatable Bonds 10
Exact Mass 558.1519
Monoisotopic Mass 558.1519
Heavy Atoms 38
Complexity 685.0

Chemical Identifiers

CAS Number 7752-82-1
SMILES CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)O)OS(=O)(=O)O)O)O
InChIKey JRQLBJPVSRTDBJ-WZTVWXICSA-N

Product Overview

Uten (CAS 7752-82-1), with molecular formula C23H30N2O12S and molecular weight 558.1519 g/mol. IUPAC: [1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxyisoquinolin-6-yl] hydrogen sulfate;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol.

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