regadenoson
  CDK     0223171738
null
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M  END
> <ID>
CHEBI:135613

> <NAME>
regadenoson

> <STAR>
2

> <SYNONYM>
rapiscan; lexiscan; CVT-3146

> <FORMULA>
C15H18N8O5

> <MASS>
390.355

> <MONOISOTOPIC_MASS>
390.14002

> <CHARGE>
0

> <SMILES>
NC1=C2C(N(C=N2)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO)=NC(=N1)N4C=C(C=N4)C(NC)=O

> <INCHI>
InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1

> <INCHIKEY>
LZPZPHGJDAGEJZ-AKAIJSEGSA-N

> <CAS_REGISTRY_NUMBER>
313348-27-5

$$$$