
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 875148-45-1 |
| Catalog No. | 2A-1172255 |
| Chinese Name | 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole- |
| Synonyms | CVT 3146; 2XLN4Y044H; UNII-2XLN4Y044H; Regadenoson hydrate |
| Molecular Formula | C15H20N8O6 |
| Molecular Weight | 408.36900 |
| Purity | 98% |
| PubChem ID | 47207372 |
| SMILES | CNC(=O)c1cnn(-c2nc(N)c3ncn(C4OC(CO)C(O)C4O)c3n2)c1.O |
| InChI | 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 |
| InChI Key | CDQVVPUXSPZONN-UHFFFAOYSA-N |
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