Description:
It is an impurity of Capecitabine and is used as an antitumor agent.
- Molecular Weight: 359.35
- Molecular Formula: C15H22FN3O6
Purity: ≥95%
Canonical SMILES:
CC1C(C(C(O1)N2C=C(C(=NC2=O)NC(=O)OCCC(C)C)F)O)O
InChI:
InChI=1S/C15H22FN3O6/c1-7(2)4-5-24-15(23)18-12-9(16)6-19(14(22)17-12)13-11(21)10(20)8(3)25-13/h6-8,10-11,13,20-21H,4-5H2,1-3H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
InChIKey: PPVCPOIDSSQXMR-UORFTKCHSA-N
- Melting Point: 53-54°C
- Solubility: Soluble in Methanol (Slightly)
- Appearance: White to Off-white Solid
- Storage: Store at -20°C under inert atmosphere
Synonyms:
5'-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine; [1-(5-Deoxy-β-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl]-carbamic Acid 3-Methylbutyl Ester; 5'-Deoxy-5-fluoro-N-[(3-methylbutoxy)carbonyl]cytidine; Isopentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate; 5'-Deoxy-5-fluoro-N4-(3-methyl-1-butyloxycarbonyl)cytidine; Capecitabine impurity E
More details are to be found on supplier website
