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Sofosbuvir-[13C,d3]

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General Information
Catalog: BLP-012586
CAS: 2070009-25-3
Molecular Formula: C21[13C]H26D3FN3O9P
Molecular Weight: 533.46

Chemical Structure

Description	Sofosbuvir-[13C,d3] is the labelled analogue of Sofosbuvir. Sofosbuvir is a NS5B inhibtor used for the treatment of hepatitis C. It is only recommended with some combination of ribavirin, peginterferon-alfa, simeprevir, ledipasvir or daclatasvir.
Synonyms	Sofosbuvir 13CD3
IUPAC Name	propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-(trideuterio(1-13C)methyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Related CAS	1190307-88-0 (unlabelled)
Canonical SMILES	CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3
InChI	InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1/i4+1D3
InChI Key	TTZHDVOVKQGIBA-VKRIPBSLSA-N
Purity	95% by HPLC; 95% atom 13C; 95% atom D
Density	1.4±0.1 g/cm3