Account Pentyl (1-((2R,3R,4S,5R)-4-(((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)oxy)-3-hydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate
- Catalog No. :
- ACYWEL653
- CAS No. :
- 1262133-68-5
- Molecular Formula :
- C20H30FN3O9
- Molecular Weight :
- 475.47
IUPAC Name:pentyl (1-((2R,3R,4S,5R)-4-(((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)oxy)-3-hydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate
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Product Information
| Product Name | Pentyl (1-((2R,3R,4S,5R)-4-(((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)oxy)-3-hydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate |
|---|---|
| IUPAC Name | pentyl (1-((2R,3R,4S,5R)-4-(((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)oxy)-3-hydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate |
| MDL No. | MFCD24386626 |
| Molecular Formula | C20H30FN3O9 |
| Molecular Weight | 475.47 |
| SMILES | O=C(OCCCCC)NC(C(F)=CN1[C@@H]2O[C@H](C)[C@@H](O[C@H]3O[C@H](C)[C@@H](O)[C@H]3O)[C@H]2O)=NC1=O |
| InChI Key | VTELESLWOUWJLQ-QGGDVEHGSA-N |
| Synonym | Capecitabin iMpurity I;Capecitabine USP Related Compound I;Capecitabine USP Impurity I;Capecitabine impurity 3/Capecitabine USP Impurity I/3’-O-(5’-Deoxy-α-D-ribofuranosyl) Capecitabine;5'-Deoxy-3'-O-(5-deoxy-alpha-D-ribofuranosyl)-5-fluoro-N-((pentyloxy)carbonyl)cytidine;Capecitabine Related Compound I;1-[5'-Deoxy-3-O-(5'-deoxy-α-D-ribofuranosyl)-β-D-ribofuranosyl]-5-fluoro-2-oxo-1,2-dihydropyriMidin-4-yl]carbaMic Acid Pentyl Ester;Capecitabine USP IMp.I |
| CAS No. | 1262133-68-5 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACYWEL653 Molecular Building Block Synthetic Route
pentyl (1-((2R,3R,4R,5R)-3-(((2S,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)oxy)-4-hydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate
Pentyl (5-fluoro-1-((3aR,4R,6R,6aR)-6-methyl-2-oxotetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate
Pentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate