Peracetyl Empagliflozin

CAS: 915095-99-7

Ref. TR-P285355

Product Information

• Name: Peracetyl Empagliflozin
• Synonyms: D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, 2,3,4,6-tetraacetate, (1S)- (ACI), D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, tetraacetate, (1S)-, (1S)-1,5-anhydro-2,3,4,6-tetra-O-acteyl-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydrofu-ran-3-yl]oxy]phenyl] methyl]phenyl]-D-Glucitol, Acetoxy Empagliflozin, (1S)-1,5-Anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-D-glucitol tetraacetate

Description

Applications Impurity of the drug Empagliflozin (E521510). From process for the preparation of glucopyranosyl-substituted benzonitriles for use as therapeutic agents treating metabolic disorders.
References Eckhardt, M., et al.: U.S. Pat. Appl. Publ., US 20070259821 A1 20071108 (2007)

• Brand: TRC

Chemical properties

• Molecular weight: 619.056
• Formula: C₃₁H₃₅ClO₁₁
• Color/Form: Neat
• InChI: InChI=1S/C31H35ClO11/c1-17(33)38-16-27-29(39-18(2)34)31(41-20(4)36)30(40-19(3)35)28(43-27)22-7-10-26(32)23(14-22)13-21-5-8-24(9-6-21)42-25-11-12-37-15-25/h5-10,14,25,27-31H,11-13,15-16H2,1-4H3/t25-,27+,28-,29+,30-,31-/m0/s1
• InChI key: InChIKey=IVTYEGRDCQLUJE-KTUPMIEBSA-N
• SMILES: CC(=O)OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O