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The Drug Ontology
Preferred Name | capecitabine | |
Synonyms |
capecitabinum (1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester capecitabina Capecitabin 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 capecitabine Xeloda 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine |
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Definitions |
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. |
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ID |
http://purl.obolibrary.org/obo/CHEBI_31348 |
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alternative label |
capecitabinum (1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester capecitabina Capecitabin 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 capecitabine Xeloda 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine
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charge |
0
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database_cross_reference |
Wikipedia:Capecitabine CAS:154361-50-9 DrugBank:DB01101 KEGG:C12650 Reaxys:8583270 LINCS:LSM-5705 HMDB:HMDB0015233 KEGG:D01223 Drug_Central:480
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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.
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formula |
C15H22FN3O6
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has characteristic |
http://purl.obolibrary.org/obo/CHEBI_35610 |
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has role |
http://purl.obolibrary.org/obo/CHEBI_35610 |
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has_exact_synonym |
5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine
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has_obo_namespace |
chebi_ontology
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has_related_synonym |
capecitabinum (1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester capecitabina Capecitabin 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 capecitabine Xeloda
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has_RxCUI |
194000
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id |
CHEBI:31348
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in_subset | ||
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
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inchikey |
GAGWJHPBXLXJQN-UORFTKCHSA-N
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label |
capecitabine
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mass |
359.35010
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monoisotopicmass |
359.14926
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notation |
CHEBI:31348
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prefLabel |
capecitabine
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smiles |
CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O
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subClassOf |
http://purl.obolibrary.org/obo/CHEBI_37143 |
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