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capecitabine

CHEBI:CHEBI_31348

Definition

A carbamate ester that is cytidine in which the hydrogen at position 5 is replaced by fluorine and in which the amino group attached to position 4 is converted into its N-(penyloxy)carbonyl derivative. Capecitabine is a antineoplastic agent used in the treatment of cancers.

Chemical Information

Molecular Formula
C15H22FN3O6
Molecular Mass
359.35010
Charge
0
SMILES
CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O
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
GAGWJHPBXLXJQN-UORFTKCHSA-N

Alternative Names

  • (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
  • Capecitabin
  • capecitabina
  • capecitabine
  • capecitabinum
  • Pentyl [1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate
  • pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate
  • Xeloda

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
194000
oboInOwl#hasDbXref
Wikipedia:Capecitabine
core#notation
CHEBI:31348

Additional References

Wikipedia:Capecitabine

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

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chebi_ontology
DRON_00010000
194000
oboInOwl#hasDbXref
Wikipedia:Capecitabine
oboInOwl#id
CHEBI:31348
core#notation
CHEBI:31348
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_50266
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http://purl.obolibrary.org/obo/chebi#3_STAR
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
has_treatment
http://purl.obolibrary.org/obo/DOID_6703
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect16575
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t180257
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t720316