Ledipasvir-d6

Analyte Name

Ledipasvir-d6

CAS Number

2050041-12-6

Molecular Formula

C49H48D6F2N8O6

Molecular Weight

895.04

Accurate Mass

894.45

SMILES

FC1(C2=C(C=CC(C3=CC4=C(C=C3)N=C([C@@H]5[C@H]6CC[C@@H](N5C([C@@H](NC(OC([2H])([2H])[2H])=O)C(C)C)=O)C6)N4)=C2)C7=CC=C(C=C71)C8=CN=C(N8)[C@@]9(CC%10(CN9C([C@H](C(C)C)NC(OC([2H])([2H])[2H])=O)=O)CC%10)[H])F

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/i5D3,6D3

IUPAC

methyl-d3 ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-(((methoxy-d3)carbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate

Unlabelled CAS Number

1256388-51-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat