| Description |
Ledipasvir-[d8] is a labelled Ledipasvir, which is most commonly used in combination with sofosbuvir for the treatment in chronic hepatitis C genotype 1 patients. It inhibits an important viral phosphoprotein, NS5A, which is involved in viral replication, assembly, and secretion. |
| Synonyms |
N-[(1S)-1-[[(6S)-6-[5-[9,9-Difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-6-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]-carbamic Acid Methyl Ester-d8; Ledipasvir D8 |
| IUPAC Name |
methyl N-[1-[(1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[(6S)-5-[2,3,4,4,4-pentadeuterio-2-(methoxycarbonylamino)-3-(trideuteriomethyl)butanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate |
| Related CAS |
1256388-51-8 (unlabelled)
|
| Canonical SMILES |
CC(C)C(C(=O)N1CC2(CC2)CC1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)C9C1CCC(C1)N9C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC |
| InChI |
InChI=1S/C49H54F2N8O6/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)/t29-,30+,38-,39?,40?,41-/m0/s1/i1D3,2D3,24D,39D |
| InChI Key |
VRTWBAAJJOHBQU-YBAQMDOFSA-N |
| Purity |
≥90% by CP |
![Ledipasvir-[d8]](/isotope.v1/images/structure-default.jpg)
