Regadenoson Impurity 43
1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxamide
Also Known As: Regadenoson Impurity 43|1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid amide|1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxamide|1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl }pyrazole-4-carboxamide|1-{9-(4S,2R,3R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl-6-aminopurin-2-yl }pyrazole-4-carboxamide|1-{9-[(4s,2r,3r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazole-4-carboxamide
| Molecular Formula | C14H16N8O5 |
|---|---|
| Molecular Weight | 376.12436 g/mol |
| LogP | -2.6954 |
| Topological Polar Surface Area | 200.45 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.12436 |
| Monoisotopic Mass | 376.12436 |
| Heavy Atoms | 27 |
| Complexity | 1016.2742 |
Chemical Identifiers
| CAS Number | 313348-35-5 |
|---|---|
| SMILES | C1=C(C=NN1C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)C(=O)N |
Product Overview
Regadenoson Impurity 43 (CAS 313348-35-5), with molecular formula C14H16N8O5 and molecular weight 376.12436 g/mol. IUPAC: 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxamide.