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CHEBI:31313 - Bucladesine sodium

ChEBI IDCHEBI:31313
ChEBI NameBucladesine sodium
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC18H23N5O8P.Na
Net Charge0
Average Mass491.373
Monoisotopic Mass491.11819
SMILESCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)([O-])O[C@H]2[C@H]1OC(=O)CCC.[Na+]
InChIInChI=1S/C18H24N5O8P.Na/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14;/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);/q;+1/p-1/t10-,14-,15-,18-;/m1./s1
InChIKeyKRBZRVBLIUDQNG-JBVYASIDSA-M
ChEBI Ontology
Outgoing Relation(s)
Bucladesine sodium (CHEBI:31313) is a 3',5'-cyclic purine nucleotide (CHEBI:19834)
Synonyms  Source
Bucladesine sodiumKEGG COMPOUND
Actosin (TM)KEGG COMPOUND
Manual XrefsDatabases
D01238KEGG DRUG
Registry NumbersSources
CAS:16980-89-5KEGG COMPOUND