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