Account (2S,3S,4S,5R,6S)-6-(2-(5-Fluoro-2-methyl-1-((Z)-4-(methylsulfonyl)benzylidene)-1H-inden-3-yl)acetoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACMKQP335
- CAS No. :
- 60018-37-3
- Molecular Formula :
- C26H25FO10S
- Molecular Weight :
- 548.54
IUPAC Name:(2S,3S,4S,5R,6S)-6-(2-(5-fluoro-2-methyl-1-((Z)-4-(methylsulfonyl)benzylidene)-1H-inden-3-yl)acetoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | (2S,3S,4S,5R,6S)-6-(2-(5-Fluoro-2-methyl-1-((Z)-4-(methylsulfonyl)benzylidene)-1H-inden-3-yl)acetoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6S)-6-(2-(5-fluoro-2-methyl-1-((Z)-4-(methylsulfonyl)benzylidene)-1H-inden-3-yl)acetoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C26H25FO10S |
| Molecular Weight | 548.54 |
| SMILES | O=C([C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC(CC(C2=C/3C=CC(F)=C2)=C(C)C3=C\C4=CC=C(S(=O)(C)=O)C=C4)=O)O1)O |
| InChI Key | POIVPBPDRVZPSG-UBTHQZBOSA-N |
| Synonym | Sulindac sulfone-acyl-beta-D-glucuronide min. 98%;Sulindac Sulfone Acyl-β-D-Glucuronide;Sulindac sulfone acyl-b-D-glucuronide;β-D-Glucopyranuronic acid, 1-[(1Z)-5-fluoro-2-methyl-1-[[4-(methylsulfonyl)phenyl]methylene]-1H-indene-3-acetate];(Z)-6-(2-(5-fluoro-2-methyl-1-(4-(methylsulfonyl)benzylidene)-1H-inden-3-yl)acetoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid;Sulindac Sulfone Acyl-β-D-Glucuronide, CAS 60018-37-3;Sulindac Sulfone Acyl-Beta-D-Glucuronide |
| CAS No. | 60018-37-3 |
Synthetic Route by SureRoute
2. ACMKQP335 Molecular Building Block Synthetic Route
(2S,3S,4S,5R,6S)-6-(2-(5-Fluoro-2-methyl-1-((Z)-4-(methylthio)benzylidene)-1H-inden-3-yl)acetoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Methyl (Z)-2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetate
(Z)-2-(5-fluoro-2-methyl-1-(4-(methylsulfonyl)benzylidene)-1H-inden-3-yl)acetic acid