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| CAS No.: | 154361-50-9 |
|---|---|
| Name: | Cytidine, 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]- |
| Article Data: | 31 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C15H22FN3O6 |
| Molecular Weight: | 359.355 |
| Synonyms: | Xeloda (TN);Cytidine,5'-deoxy-5-fluoro-N-[(pentyloxy)- carbonyl]-;Pentyl [1-(3,4-dihydroxy-5-methyl-oxolan-2-yl)-5-fluoro-2-oxo-pyrimidin-4-yl]aminoformate；Capecitabine;pentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate; |
| EINECS: | 604-948-1 |
| Density: | 1.49 g/cm3 |
| Melting Point: | 110-121 °C |
| Boiling Point: | 437.874oC at 760 mmHg |
| Flash Point: | 218.619oC |
| Solubility: | N/A |
| Appearance: | Colourless solid |
| Hazard Symbols: | T |
| Risk Codes: | 45-60-61-68 |
| Safety: | 53-22-36/37-45 |
| Transport Information: | N/A |
| PSA: | 122.91000 |
| LogP: | 0.83320 |
N1-(2',3'-di-O-acetyl-5'-deoxy-β-D-ribofuranosyl)-5-fluoro-N4-(pentyloxycarbonyl)cytosine
capecitabine
| Conditions | Yield |
|---|---|
| Stage #1: N1-(2',3'-di-O-acetyl-5'-deoxy-β-D-ribofuranosyl)-5-fluoro-N4-(pentyloxycarbonyl)cytosine With water; sodium hydroxide In methanol at -15℃; Stage #2: With hydrogenchloride In methanol; water at -15℃; pH=5; | 98% |
| With potassium hydroxide In methanol at 0 - 15℃; for 1h; Reagent/catalyst; | 96.1% |
| With sodium hydroxide In methanol; water at -10 - 5℃; for 1h; Autoclave; | 87.5% |
capecitabine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol; water for 2h; Inert atmosphere; | 96% |
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The Structure of Capecitabine (CAS NO.154361-50-9):
IUPAC: pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
Empirical Formula: C15H22FN3O6
Molecular Weight: 359.3501
H bond acceptors: 9
H bond donors: 3
Freely Rotating Bonds: 8
Polar Surface Area: 89.9 Å2
Index of Refraction: 1.6
Molar Refractivity: 82.32 cm3
Molar Volume: 240.5 cm3
Surface Tension: 51.3 dyne/cm
Density: 1.49 g/cm3
Melting point: 110-121 °C
Storage: Store in original container in a cool dark place.
Appearance: Colourless solid
Solubility in water: Slightly soluble
Categories: Active Pharmaceutical Ingredients; Antineoplastic; Bases & Related Reagents; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals
Capecitabine , with CAS number of 154361-50-9, can be called Cytidine,5'-deoxy-5-fluoro-N-[(pentyloxy)- carbonyl]- ; (1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester ; pentyl N-[1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methyl-oxolan-2-yl]-5-fluoro-2-oxo-pyrimidin-4-yl]carbamate ; Capecitabine (JAN/USAN) ; Pentyl [1-(3,4-dihydroxy-5-methyl-oxolan-2-yl)-5-fluoro-2-oxo-pyrimidin-4-yl]aminoformate；Capecitabine ; Pentyl [1-(3,4-dihydroxy-5-methyl-oxolan-2-yl)-5-fluoro-2-oxo-pyrimidin-4-yl]aminoformate ; Capecitabine and its intermediates ; Capecitabine 99% . It is a colourless solid, Capecitabine (CAS NO.154361-50-9) can be used as an antineoplastic agent, a prodrug of doxifluridine. Capecitabine (CAS NO.154361-50-9) is an orally-administered chemotherapeutic agent used in the treatment of metastatic breast and colorectal cancers. Capecitabine (CAS NO.154361-50-9) is a prodrug, that is enzymatically converted to 5-fluorouracil in the tumor, where it inhibits DNA synthesis and slows growth of tumor tissue.
