Account (S)-Ibuprofen acyl-β-D-glucuronide
- Catalog No. :
- ACLLID753
- CAS No. :
- 98649-76-4
- Molecular Formula :
- C19H26O8
- Molecular Weight :
- 382.41
IUPAC Name:(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(((S)-2-(4-isobutylphenyl)propanoyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | (S)-Ibuprofen acyl-β-D-glucuronide |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(((S)-2-(4-isobutylphenyl)propanoyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C19H26O8 |
| Molecular Weight | 382.41 |
| SMILES | C[C@@H](C1=CC=C(C=C1)CC(C)C)C(O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)C(O)=O)=O |
| InChI Key | ABOLXXZAJIAUGR-LEBSGKMFSA-N |
| Synonym | (S)-Ibuprofen-acyl-beta-D-glucuronide;beta-D-Glucopyranuronic acid 1-[(alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate];Dexibuprofen-acyl-beta-D-glucuronide min. 95%;(S)-Ibuprofen glucuronide;Dexibuprofen-acyl-β-D-glucuronide;β-D-Glucopyranuronic acid, 1-[(αS)-α-methyl-4-(2-methylpropyl)benzeneacetate];Dexibuprofen acyl-β-D-glucuronide;(S)-IBUPROFEN ACYL-Β-D-GLUCURONIDE |
| CAS No. | 98649-76-4 |
Synthetic Route by SureRoute
2. ACLLID753 Molecular Building Block Synthetic Route
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((2-(4-isobutylphenyl)propanoyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-(4-isobutylphenyl)acetoxy)tetrahydro-2H-pyran-2-carboxylic acid
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(((R)-2-(6-methoxynaphthalen-2-yl)propanoyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid