For research use only. Not for therapeutic Use.
| Catalog Number | R052969 |
| CAS Number | 1367369-78-5 |
| Synonyms | 2-Amino-1,9-dihydro-9-[(1R,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one; Entecavir Isomer Impurity 3; (1’R,3’R,4’S)-Entecavir Isomer; |
| Molecular Formula | C12H15N5O3 |
| Purity | ≥95% |
| Storage | -20°C |
| IUPAC Name | 2-amino-9-[(1R,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one |
| InChI | InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7+,8-/m0/s1 |
| InChIKey | QDGZDCVAUDNJFG-RNJXMRFFSA-N |
| SMILES | C=C1C(CC(C1CO)O)N2C=NC3=C2NC(=NC3=O)N |
