Entecavir-13C2,15N

• CAT Number: R008840
• CAS Number: 1329796-53-3
• Molecular Formula: C12H15N5O3
• Molecular Weight: 280.26
• Purity: ≥95%
• Synonyms: 2-Amino-9-[4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one-13C2,15N; Baraclude-13C2,15N; BMS 200475-13C2,15N; SQ 34676-13C2,15N; ?
• Storage: -20°C
• IUPAC Name: 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-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/i10+1,11+1,14+1
• InChIKey: QDGZDCVAUDNJFG-MTGFINLASA-N
• SMILES: C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=[15N]C3=[13C]2N=C(N[13C]3=O)N

Entecavir-13C2,15N（Cat No.:R008840） is an isotopically labeled version of Entecavir, where two carbon atoms are enriched with carbon-13 (13C) and one nitrogen atom with nitrogen-15 (15N). This labeling enhances the compound’s detectability and stability in analytical studies, particularly in NMR spectroscopy and mass spectrometry, providing detailed insights into the drug’s metabolism and pharmacokinetics. Entecavir is a potent antiviral medication used primarily to treat hepatitis B. The isotopically labeled version facilitates the exploration of Entecavir’s mechanism of action and its interaction within biological systems, aiding in the development of more effective antiviral therapies.