CHEBI:31313 - Bucladesine sodium

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ChEBI Name Bucladesine sodium
ChEBI ID CHEBI:31313
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C18H23N5NaO8P
C18H23N5O8P.Na
Net Charge 0
Average Mass 491.368
Monoisotopic Mass 491.11819
InChI InChI=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
InChIKey KRBZRVBLIUDQNG-JBVYASIDSA-M
SMILES C=1(C2=C(N=CN1)N(C=N2)[C@H]3[C@H](OC(CCC)=O)[C@H]4[C@@H](COP(O4)(=O)[O-])O3)NC(=O)CCC.[Na+]
ChEBI Ontology
Outgoing Bucladesine sodium (CHEBI:31313) is a 3',5'-cyclic purine nucleotide (CHEBI:19834)
Synonyms Sources
Actosin (TM) KEGG COMPOUND
Bucladesine sodium KEGG COMPOUND
Manual Xref Database
D01238 KEGG DRUG
View more database links
Registry Number Type Source
16980-89-5 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017