Capecitabine

CAS Registry Number®

154361-50-9
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CAS Name

Capecitabine

Molecular Formula

C15H22FN3O6

Molecular Mass

359.35

Cite this Page

Capecitabine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=154361-50-9 (retrieved 2024-04-16) (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

CAS INSIGHTSTM
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