Capecitabine

Molecule SVG Image

Properties Simple | Detailed

Formula C15H22FN3O6
IUPAC Name pentyl n-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]-5-fluoro-2-oxo-pyrimidin-4-yl]carbamate
Molecular Mass 359.350 g·mol−1
Heat of Formation -1230.0 ± 16.7 kJ·mol−1
Dipole Moment 6.05 ± 1.08 D
Volume 402.3 Å 3
Surface Area 369.88 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (1-(5-deoxy-beta-d-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester
  • 5'-deoxy-5-fluoro-n-((pentyloxy)carbonyl)cytidine
  • capecitabine (jan/usan)
  • carbamic acid, (1-(5-deoxy-beta-d-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, pentyl ester
  • cytidine, 5'-deoxy-5-fluoro-n-((pentyloxy)carbonyl)-
  • d01223
  • n(4)-pentyloxycarbonyl-5'-deoxy-5-fluorocytidine
  • n-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methyl-2-tetrahydrofuranyl]-5-fluoro-2-oxo-4-pyrimidinyl]carbamic acid pentyl ester
  • n-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]-5-fluoro-2-keto-pyrimidin-4-yl]carbamic acid amyl ester
  • pentyl 1-(5-deoxy-beta-d-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate
  • pentyl n-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methyl-oxolan-2-yl]-5-fluoro-2-oxo-pyrimidin-4-yl]carbamate
  • pentyl n-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]-5-fluoro-2-oxo-pyrimidin-4-yl]carbamate
  • pentyl n-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
  • r-340
  • ro 09-1978
  • ro 09-1978/000
  • ro-09-1978
  • xeloda
CAS Number(s)
  • 154361-50-9
  • 158798-73-3
InChIKey GAGWJHPBXLXJQN-UORFTKCHSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F