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Ledipasvir hydrochloride

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Category Hepatitis C Virus (HCV)
CAS 2128695-48-5
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Product Information

Synonyms Ledipasvir hydrochloride;Ledipasvir (hydrochloride);CS-0012261;2128695-48-5;
IUPAC Name methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydrochloride
Molecular Weight 542.6
Molecular Formula C31H34N4O5
Canonical SMILES CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI InChI=1S/C49H54F2N8O6.ClH/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6;/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63);1H/t29-,30+,38-,39-,40-,41-;/m0./s1
InChIKey DDPFJRIMZUVTQU-NDANSHMASA-N
Appearance Solid

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