Capecitabine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 232
Total Number of Articles : 652
PubChem 60953
Molecular Formula

C15H22FN3O6

SMILES

CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O

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

synonyms
  • CAPECITABINE
  • 154361-50-9
  • Xeloda
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Properties
Property Value
MW 359.35 g/mol
HBD 3
HBA 7
Rotatable Bond Count 7
Exact Mass 359.14926359 g/mol
Monoisotopic Mass 359.14926359 g/mol
Heavy Atom Count 25
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 582
xlogp 0.6
Topological Polar Surface Area 121