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CHEBI:74843 - ancitabine hydrochloride

ChEBI IDCHEBI:74843
ChEBI Nameancitabine hydrochloride
Stars
DefinitionA hydrochloride salt resulting from the reaction of equimolar amounts of ancitabine and hydrogen chloride.
Last Modified28 July 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC9H11N3O4.HCl
Net Charge0
Average Mass261.665
Monoisotopic Mass261.05163
SMILESCl.N=c1ccn2c(n1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12
InChIInChI=1S/C9H11N3O4.ClH/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8;/h1-2,4,6-8,10,13-14H,3H2;1H/t4-,6-,7+,8-;/m1./s1
InChIKeyKZOWNALBTMILAP-JBMRGDGGSA-N
Roles Classification
Biological Role:
antimetabolite  A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
ancitabine hydrochloride (CHEBI:74843) has part ancitabine(1+) (CHEBI:74842)
ancitabine hydrochloride (CHEBI:74843) has role antimetabolite (CHEBI:35221)
ancitabine hydrochloride (CHEBI:74843) has role antineoplastic agent (CHEBI:35610)
ancitabine hydrochloride (CHEBI:74843) is a hydrochloride (CHEBI:36807)
IUPAC Name 
(2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol hydrochloride
Synonyms  Source
2,2'-anhydrocytidine hydrochlorideChemIDplus
2,2'-cyclocytidine hydrochlorideChemIDplus
2,2'-anhydroaracytidine hydrochlorideChemIDplus
2,2'-anhydro-1-β-D-arabinofuranosylcytosine hydrochlorideChemIDplus
2,2'-cyclocytidine monohydrochlorideChemIDplus
2,2'-anhydroarabinosylcytosine hydrochlorideChemIDplus
Manual XrefsDatabases
D01651KEGG DRUG
C13112KEGG COMPOUND
Registry NumbersSources
Reaxys:4166706Reaxys
CAS:10212-25-6ChemIDplus
CAS:10212-25-6KEGG COMPOUND