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CHEBI:135996 - ibacitabine

ChEBI IDCHEBI:135996
ChEBI Nameibacitabine
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC9H12IN3O4
Net Charge0
Average Mass353.116
Monoisotopic Mass352.98725
SMILESNc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I
InChIInChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
InChIKeyWEVJJMPVVFNAHZ-RRKCRQDMSA-N
ChEBI Ontology
Outgoing Relation(s)
ibacitabine (CHEBI:135996) is a pyrimidine 2'-deoxyribonucleoside (CHEBI:19255)
Synonym  Source
iododeoxycytidineDrugCentral
Manual XrefsDatabases
4572DrugCentral
Registry NumbersSources
CAS:611-53-0DrugCentral