Name: Balapiravir hydrochloride
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212712170
Cas No:690270-65-6
常用名:Balapiravir hydrochloride
别名:RO-4588161, RO4588161, RO 4588161, R-1626, R1626, R 1626, Balapiravir HCl
别名:RO-4588161, RO4588161, RO 4588161, R-1626, R1626, R 1626, Balapiravir HCl
IUPAC:[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-azido-3,4-bis[(2-methylpropanoyl)oxy]oxolan-2-yl]methyl 2-methylpropanoate hydrochloride
IUPAC:[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-azido-3,4-bis[(2-methylpropanoyl)oxy]oxolan-2-yl]methyl 2-methylpropanoate hydrochloride
InChI key:RAJFQMDUVDHLII-PYZPAVLJSA-N

分子式:C21H31ClN6O8
分子量:530.96
氢键供体数 (HBD):1
氢键受体数 (HBA):9
LogP:2.8870857
SMILES:Cl.CC(C)C(=O)OC[C@]1(O[C@H]([C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)n1ccc(N)nc1=O)N=[N+]=[N-]
SMILES:Cl.CC(C)C(=O)OC[C@]1(O[C@H]([C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)n1ccc(N)nc1=O)N=[N+]=[N-]

Balapiravir HCl, an NS5B inhibitor, is used potentially for the treatment of HCV infection.

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