Analyte Name

1-epi Regadenoson

CAS Number

2015222-31-6

Molecular Formula

C15 H18 N8 O5

Molecular Weight

390.354

Accurate Mass

390.14

SMILES

CNC(=O)c1cnn(c1)c2nc(N)c3ncn([C@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2

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

IUPAC

1-[6-amino-9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat