Empagliflozin Impurity N6 structure

Empagliflozin Impurity N6

(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Also Known As: Empagliflozin Impurity N6|Dapagliflozin Impurity 31|Dapagliflozin Impurity 76|Empagliflozin Methyl Impurity|(1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-D-glucitol|(2s,3r,4r,5s,6r)-2-(4-chloro-3-(4-methoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol|J3.311.204A|D-Glucitol,1,5-anhydro-1-C-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-, (1S)-|(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol|(1S)-1,5-Anhydro-1-C-[4-chloro-3-(4-methoxybenzyl)phenyl]-D-glucitol|1,5-Anhydro-1-C-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-D-glucitol, (1S)-|D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-, (1S)-|(2R,3R,4R,5S,6R)-2-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol|(2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)phenyI)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol|(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|(2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-methoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS: 333359-90-3
Molecular Formula C20H23ClO6
Molecular Weight 394.11832 g/mol
LogP 1.4543
Topological Polar Surface Area 99.38 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 394.11832
Monoisotopic Mass 394.11832
Heavy Atoms 27
Complexity 763.5673

Chemical Identifiers

CAS Number 333359-90-3
SMILES COC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl

Product Overview

Empagliflozin Impurity N6 (CAS 333359-90-3), with molecular formula C20H23ClO6 and molecular weight 394.11832 g/mol. IUPAC: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

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