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Sofosbuvir impurity I

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Category Hepatitis C Virus (HCV)
CAS 2164516-85-0
Description Sofosbuvir impurity I is a diastereoisomer and impurity of Sofosbuvir, an inhibitor of HCV RNA replication with strong anti-hepatitis C virus activity.
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Product Information

Synonyms Ethyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate; Uridine, 2'-deoxy-5'-O-[(S)-[[(1S)-2-ethoxy-1-methyl-2-oxoethyl]amino]phenoxyphosphinyl]-2'-fluoro-2'-methyl-; Sofosbuvir Impurity 19
IUPAC Name ethyl (2S)-2-[(S)-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Molecular Weight 515.43
Molecular Formula C21H27FN3O9P
Canonical SMILES CCOC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3
InChI InChI=1S/C21H27FN3O9P/c1-4-31-18(28)13(2)24-35(30,34-14-8-6-5-7-9-14)32-12-15-17(27)21(3,22)19(33-15)25-11-10-16(26)23-20(25)29/h5-11,13,15,17,19,27H,4,12H2,1-3H3,(H,24,30)(H,23,26,29)/t13-,15+,17+,19+,21+,35-/m0/s1
InChIKey HRGZELWFPQCNNG-NQVPMCNCSA-N
Purity ≥95%
Density 1.4±0.1 g/cm3
Solubility Soluble in DMSO
Appearance Solid powder
Storage Store at -20°C
Complexity 884
Exact Mass 515.14689461
Target HCV
XLogP3-AA 0.6

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