Account (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
- Catalog No. :
- ACLGMW137
- CAS No. :
- 915095-99-7
- Molecular Formula :
- C31H35ClO11
- Molecular Weight :
- 619.06
IUPAC Name:(2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
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Product Information
| Product Name | (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate |
|---|---|
| IUPAC Name | (2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate |
| MDL No. | MFCD28978546 |
| Molecular Formula | C31H35ClO11 |
| Molecular Weight | 619.06 |
| SMILES | ClC1=CC=C([C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)C=C1CC3=CC=C(O[C@@H]4COCC4)C=C3 |
| InChI Key | IVTYEGRDCQLUJE-KTUPMIEBSA-N |
| Synonym | (1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-(4-chloro-3-{4-[(3S)-tetrahydro-3-furanyloxy]benzyl}phenyl)-D-glucitol;Empagliflozin Impurity 25;(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;Empagliflozin impurity 13/Peracetyl Empagliflozin/(2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)- tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran- 3,4,5-triyl triacetate;[(2R,3R,4R,5S,6S)-3,4,5-Triacetyloxy-6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]oxan-2-yl]methyl acetate;Peracetyl Empagliflozin |
| CAS No. | 915095-99-7 |
| PubChem CID | 59346348 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P264-P270-P301+P312-P330
Synthetic Route by SureRoute
2. ACLGMW137 Molecular Building Block Synthetic Route
(2S,3S,4R,5R,6R)-2-(4-Chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)-6-((pivaloyloxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2-dimethylpropanoate)
(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
(2S,3S,4R,5R,6R)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate