Account (2S,3R,4S,5R,6S)-6-(2-(2-((2-Chloro-6-fluorophenyl)amino)-5-methylphenyl)acetoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACYRLE607
- CAS No. :
- 697287-17-5
- Molecular Formula :
- C21H21ClFNO8
- Molecular Weight :
- 469.85
IUPAC Name:(2S,3R,4S,5R,6S)-6-(2-(2-((2-chloro-6-fluorophenyl)amino)-5-methylphenyl)acetoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | (2S,3R,4S,5R,6S)-6-(2-(2-((2-Chloro-6-fluorophenyl)amino)-5-methylphenyl)acetoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3R,4S,5R,6S)-6-(2-(2-((2-chloro-6-fluorophenyl)amino)-5-methylphenyl)acetoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
| MDL No. | MFCD15145453 |
| Molecular Formula | C21H21ClFNO8 |
| Molecular Weight | 469.85 |
| SMILES | O=C([C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OC(CC2=CC(C)=CC=C2NC3=C(F)C=CC=C3Cl)=O)O1)O |
| InChI Key | GEVZOJTWMGGTTK-KWLWEVDOSA-N |
| Synonym | 1-[2-[(2-Chloro-6-fluorophenyl)amino]-5-methylbenzeneacetate] -D-Glucopyranuronic Acid;Lumiracoxib Acyl--D-glucuronide;Lumiracoxib-acyl-beta-D-glucuronide min. 93.8%;Lumiracoxib acyl-b-D-glucuronide;β-D-Glucopyranuronic acid, 1-[2-[(2-chloro-6-fluorophenyl)amino]-5-methylbenzeneacetate] (9CI);Lumiracoxib Acyl-β-D-glucuronide;6-(2-(2-((2-Chloro-6-fluorophenyl)amino)-5-methylphenyl)acetoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid;Xanthine Impurity 32 |
| CAS No. | 697287-17-5 |
Synthetic Route by SureRoute
2. ACYRLE607 Molecular Building Block Synthetic Route
Diclofenac acyl glucuronide
Allyl (3R,5R,6R)-6-(2-(2-((2,6-dichlorophenyl)amino)phenyl)acetoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
(2S,3S,4S,5R,6S)-6-(((S)-2-(3-Benzoylphenyl)propanoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid