Account Dapagliflozin-3-O-β-D-glucuronide
- Catalog No. :
- ACNYZJ125
- CAS No. :
- 1351438-75-9
- Molecular Formula :
- C27H33ClO12
- Molecular Weight :
- 585.00
IUPAC Name:(2S,3S,4S,5R,6R)-6-(((2S,3S,4R,5R,6R)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | Dapagliflozin-3-O-β-D-glucuronide |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6R)-6-(((2S,3S,4R,5R,6R)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
| MDL No. | MFCD34181284 |
| Molecular Formula | C27H33ClO12 |
| Molecular Weight | 585.00 |
| SMILES | O=C([C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](C3=CC=C(Cl)C(CC4=CC=C(OCC)C=C4)=C3)O[C@H](CO)[C@H]2O)O1)O |
| InChI Key | ZYZULHSUKTZGTR-PTNNFGGUSA-N |
| Synonym | Dapagliflozin-3-O--D-Glucuronide;Dapagliflozin-3-O-β-D-Glucuronide;Dapagliflozin 3-O-β-D-Glucuronide D5Q: What is Dapagliflozin 3-O-β-D-Glucuronide D5 Q: What is the CAS Number of Dapagliflozin 3-O-β-D-Glucuronide D5;D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3-O-β-D-glucopyranuronosyl-, (1S)- |
| CAS No. | 1351438-75-9 |
Synthetic Route by SureRoute
2. ACNYZJ125 Molecular Building Block Synthetic Route
(2S,3S,4S,5R,6R)-6-(((1S,2S,3S,4R,5S)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-2,4-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
(3R,4S,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4S,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol