Ledipasvir

CAS Registry Number®

1256388-51-8
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CAS Name

Ledipasvir

Molecular Formula

C49H54F2N8O6

Molecular Mass

889.00

Cite this Page

Ledipasvir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1256388-51-8 (retrieved 2024-03-02) (CAS RN: 1256388-51-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=VRTWBAAJJOHBQU-KMWAZVGDSA-N

SMILES

C([C@@H](NC(OC)=O)[C@@H](C)C)(=O)N1CC2(C[C@H]1C=3NC(=CN3)C=4C=C5C(=CC4)C=6C(C5(F)F)=CC(=CC6)C=7C=C8C(=CC7)N=C(N8)[C@H]9N(C([C@@H](NC(OC)=O)C(C)C)=O)[C@]%10(C[C@@]9(CC%10)[H])[H])CC2

Canonical SMILES

O=C(OC)NC(C(=O)N1CC2(CC2)CC1C3=NC=C(N3)C=4C=CC=5C=6C=CC(=CC6C(F)(F)C5C4)C=7C=CC=8N=C(NC8C7)C9N(C(=O)C(NC(=O)OC)C(C)C)C%10CCC9C%10)C(C)C

Other Names for this Substance

  • Carbamic acid, 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]-, methyl ester
  • GS 5885
  • Ledipasvir

Deleted or Replaced CAS Registry Numbers

1350473-66-3

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