Stereochemistry | ABSOLUTE |
Molecular Formula | C40H49BrN6O9S |
Molecular Weight | 869.821 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]1(C[C@]1(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)OC4=C5C=CC(OC)=C(Br)C5=NC(=C4)C6=CSC(NC(=O)C(C)C)=N6)C(O)=O)C=C
InChI
InChIKey=LLGDPTDZOVKFDU-XUHJSTDZSA-N
InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1
Molecular Formula | C40H49BrN6O9S |
Molecular Weight | 869.821 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Faldaprevir is a potent hepatitis C virus (HCV) NS3/4A protease inhibitor developed by Boehringer-Ingelheim for the treatment of hepatitis C. Faldaprevir in combination with pegylated interferon and ribavirin, or interferon-free treatment with faldaprevir in combination with deleobuvir plus ribavirin provides high sustained virological response rates for HCV genotype 1 infection. The most common adverse events were gastrointestinal disorders, rash, and photosensitivity. The interferon-free combination of faldaprevir and deleobuvir with ribavirin was effective for HCV genotype 1 infection, although further improvements will still be needed. Boehringer announced in 2014 that it would not pursue approval of the drug any more because of better HCV treatments having become available.