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Substance Name: Neceprevir [USAN]
RN: 1229626-28-1
UNII: 5ZT4SBY0BD
InChIKey: UDMJANYPQWEDFT-ZAWFUYGJSA-N

Molecular Weight

  • 911.0994
 
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Names and Synonyms

Name of Substance

  • Deldeprevir [USAN:INN]
  • Neceprevir [USAN]

Synonyms

  • Deldeprevir
  • Neceprevir
  • UNII-5ZT4SBY0BD

Systematic Names

  • (2R,6R,12Z,13aS,14aR,16aS)-N-(cyclopropylsulfonyl)-6-(2-(3,3-difluoropiperidin-1-yl)- 2-oxoethyl)-2-({7-methoxy-8-methyl-2-(4-(1-methylethyl)thiazol-2-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)- carboxamide
  • Cyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)-carboxamide, N- (cyclopropylsulfonyl)-6-(2-(3,3-difluoro-1-piperidinyl)-2-oxoethyl)- 1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-((7-methoxy-8-methyl-2-(4-(1- methylethyl)-2-thiazolyl)-4-quinolinyl)oxy)-5,16-dioxo-, (2R,6R,12Z,13aS,14aR,16aS)-

Registry Numbers

CAS Registry Number

  • 1229626-28-1

FDA UNII

  • 5ZT4SBY0BD

System Generated Number

  • 1229626281

Structure Descriptors

InChI

1S/C45H56F2N6O8S2/c1-26(2)34-24-62-41(49-34)33-21-37(32-15-16-36(60-4)27(3)39(32)48-33)61-30-20-35-40(55)50-45(43(57)51-63(58,59)31-13-14-31)22-29(45)12-9-7-5-6-8-11-28(42(56)53(35)23-30)19-38(54)52-18-10-17-44(46,47)25-52/h9,12,15-16,21,24,26,28-31,35H,5-8,10-11,13-14,17-20,22-23,25H2,1-4H3,(H,50,55)(H,51,57)/b12-9-/t28-,29-,30-,35+,45-/m1/s1

InChIKey

UDMJANYPQWEDFT-ZAWFUYGJSA-N

Smiles

COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@@H](CC(=O)N5CCCC(F)(F)C5)CCCCC\C=C/[C@@H]6C[C@]6(NC4=O)C(=O)NS(=O)(=O)C7CC7)cc(nc2c1C)c8nc(cs8)C(C)C