Capecitabine
CAS Registry Number®
154361-50-9
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CAS Name
CapecitabineMolecular Formula
C15H22FN3O6Molecular Mass
359.35Cite this Page
Capecitabine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=154361-50-9 (retrieved ) (CAS RN: 154361-50-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
88-89 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
InChIKey
InChIKey=GAGWJHPBXLXJQN-UORFTKCHSA-N
SMILES
O[C@H]1[C@@H](O[C@H](C)[C@H]1O)N2C(=O)N=C(NC(OCCCCC)=O)C(F)=C2
Canonical SMILES
O=C(OCCCCC)NC1=NC(=O)N(C=C1F)C2OC(C)C(O)C2O
Other Names for this Substance
- Cytidine, 5′-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]-
- Carbamic acid, [1-(5-deoxy-β-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl]-, pentyl ester
- 5′-Deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine
- Ro 09-1978/000
- Capecitabine
Deleted or Replaced CAS Registry Numbers
158798-73-3, 958887-39-3
