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Substance Name: Ciluprevir [USAN:INN]
RN: 300832-84-2
UNII: 75C8DU40T0
InChIKey: PJZPDFUUXKKDNB-KNINVFKUSA-N

Note

  • A macrocyclic NS3 protease inhibitor and antiviral agent.

Molecular Formula

  • C40-H50-N6-O8-S

Molecular Weight

  • 774.935
 

Classification Codes

  • Antivirals
  • Inhibitor of Hepatitis C
  • Treatment of Hepatitis C Infection
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Names and Synonyms

Name of Substance

  • Ciluprevir [USAN:INN]

Synonyms

  • (2R,6S,12Z,13aS,14aR,16aS)-6-(((Cyclopentyloxy)carbonyl)amino)-2-((7-methoxy-2-(2-((1-methylethyl)amino)thiazol-4-yl)quinolin-4-yl)oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)-carboxylic acid
  • BILN 2061
  • BILN 2061 ZW
  • Ciluprevir
  • Cyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)-carboxylic acid, 6-(((cyclopentyloxy)carbonyl)amino)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-((7-methoxy-2-(2-((1-methylethyl)amino)-4-thiazolyl)-4-quinolinyl)oxy)-5,16-dioxo-, (2R,6S,12Z,13aS,14aR,16aS)-
  • UNII-75C8DU40T0

Systematic Name

  • Cyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)-carboxylic acid, 6-(((cyclopentyloxy)carbonyl)amino)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-((7-methoxy-2-(2-((1-methylethyl)amino)-4-thiazolyl)-4-quinolinyl)oxy)-5,16-dioxo-, (2R,6S,12Z,13aS,14aR,16aS)-

Registry Numbers

CAS Registry Number

  • 300832-84-2

FDA UNII

  • 75C8DU40T0

System Generated Number

  • 0300832842

Structure Descriptors

InChI

1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1

InChIKey

PJZPDFUUXKKDNB-KNINVFKUSA-N

Smiles

COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]5C[C@]5(NC4=O)C(=O)O)NC(=O)OC6CCCC6)cc(nc2c1)c7csc(NC(C)C)n7