Capecitabine

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Systematic / IUPAC Name: 5'-Deoxy-5-fluoro-N-[hydroxy(pentyloxy)methylene]cytidine

ID: Reference3106

Other Names: Capecitabin;
Capecitabinum;
Capecitibine;
(1-(5-Deoxy-β-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester;
N-(4)-Pentyloxycarbonyl-5'-deoxy-5-fluorocytidine ; more

Formula: C15H22FN3O6

Class: Therapeutics/Prescription Drugs

Spectral Data

Capecitabine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/14/2015 8:33:05 AM
View Mass Spec Data > >

Identificators

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
InChI Key GAGWJHPBXLXJQN-UORFTKCHSA-N
Canonical SMILES CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O
CAS 154361509
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Other Names Capecitabin;
Capecitabinum;
Capecitibine;
(1-(5-Deoxy-β-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester;
N-(4)-Pentyloxycarbonyl-5'-deoxy-5-fluorocytidine;
5'-Deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine;
Carbamic acid, (1-(5-deoxy-β-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl), pentyl ester;
Cytidine, 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]-;
Pentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrim;
Pentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate;
Pentyl [1-(5-deoxy-β-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate;
Pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-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-oxo-1,2-dihydropyrimidin-4-yl}carbamate;
Pentyl 1-(5-deoxy-β-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate

In Other Databases

ChemIDPlus 154361509
DrugBank DB01101
ChemSpider 54916
ChEBI CHEBI:31348
PubChem 60953
Wikipedia Capecitabine
KEGG C12650; D01223
HMDb HMDB15233