regadenoson (lexiscan) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem

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Chemistry

Mol. Mass

408.38

ALogP

-2.43

Rule of 5

No

Rule of 3

No
Details
  • SMILES: O.CNC(=O)c1cnn(c1)c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2
  • InChIKey: CDQVVPUXSPZONN-WPPLYIOHSA-N
    InChI=1S/C15H18N8O5.H2O/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);1H2/t7-,9-,10-,14-;/m1./s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989695   ChEMBL

CHEMBL317052   ChEMBL
regadenoson

7AXV542LZ4   NCATS
regadenoson anhydrous *

Regadenoson   Wikipedia

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