Dapagliflozin dimer-1

Impurity

This molecule is a impurity of Dapagliflozin.

In Stock

Impurity

Dapagliflozin dimer-1

Cat. No. ANTPRD11267CAS 2714814-62-5In Stock

Technical Data

Cat. No.ANTPRD11267

CAS2714814-62-5

Mol. FormulaC₄₂H₄₈Cl₂O₁₂

Mol. Weight815.74 g/mol

IUPAC(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[3-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-(4-ethoxyphenyl)methyl]-4-ethoxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

SMILESCCOc1ccc(C(c2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)c2cc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)ccc2OCC)cc1

InChIInChI=1S/C42H48Cl2O12/c1-3-53-26-10-6-22(7-11-26)34(27-18-24(9-13-30(27)44)42-40(52)38(50)36(48)33(20-46)56-42)28-16-21(5-14-31(28)54-4-2)15-25-17-23(8-12-29(25)43)41-39(51)37(49)35(47)32(19-45)55-41/h5-14,16-18,32-42,45-52H,3-4,15,19-20H2,1-2H3/t32-,33-,34?,35-,36-,37+,38+,39-,40-,41+,42+/m1/s1

InChI KeyGQNOTJVOJIRRSU-KWUGPVTGSA-N

Description

Overview

Dapagliflozin dimer-1, Dapagliflozin, 2714814-62-5, (2S,3R,4R,5S,6R)-2-[4-chloro-3-[[3-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-(4-ethoxyphenyl)methyl]-4-ethoxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

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Synonyms

(1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-O-[1-C-[4-chloro-3-[(4-ethoxyphenyll)methyl]phenyl]-D-glucopyranosyl]-D-glucitol(2S,3R,4R,5S,6R)-2-{4-Chloro-3-[(5-{2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]benzyl}-2-ethoxyphenyl)(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol