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Substance Name: Vedroprevir [USAN:INN]
RN: 1098189-15-1
UNII: KGD958X2B9
InChIKey: OTXAMWFYPMNDME-FQQWJMKMSA-N

Note

  • An inhibitor of the hepatitis C virus NS3/4A protease.

Molecular Formula

  • C45-H60-Cl-N7-O9-S

Molecular Weight

  • 910.528
 
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Names and Synonyms

Name of Substance

  • GS-9451
  • Vedroprevir [USAN:INN]

Synonyms

  • GS 9451
  • GS9451
  • UNII-KGD958X2B9
  • Vedroprevir

Registry Numbers

CAS Registry Number

  • 1098189-15-1

FDA UNII

  • KGD958X2B9

Other Registry Number

  • 1310824-24-8

System Generated Number

  • 1098189151

Structure Descriptors

InChI

1S/C45H60ClN7O9S/c1-7-27-21-45(27,41(56)57)51-39(54)33-19-29(22-53(33)40(55)38(44(4,5)6)50-43(58)62-28-17-25-16-26(25)18-28)61-35-20-31(32-23-63-42(49-32)47-24(2)3)48-37-30(35)8-9-34(36(37)46)60-15-12-52-10-13-59-14-11-52/h8-9,20,23-29,33,38H,7,10-19,21-22H2,1-6H3,(H,47,49)(H,50,58)(H,51,54)(H,56,57)/t25-,26+,27-,28+,29-,33+,38-,45-/m1/s1

InChIKey

OTXAMWFYPMNDME-FQQWJMKMSA-N

Smiles

CC[C@@H]1C[C@]1(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC3C[C@H]4C[C@H]4C3)C(C)(C)C)Oc5cc(nc6c(Cl)c(OCCN7CCOCC7)ccc56)c8csc(NC(C)C)n8)C(=O)O