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Substance Name: Boceprevir [USAN:INN]
RN: 394730-60-0
UNII: 89BT58KELH
InChIKey: LHHCSNFAOIFYRV-DOVBMPENSA-N

Note

  • Sch-503034 is the (1R,2S,5S)-isomer; an HCV protease inhibitor.

Classification Codes

  • Antiviral Agents
  • Treatment of Hepatitis C Infection

Molecular Formula

  • C27-H45-N5-O5

Molecular Weight

  • 519.6825
 

Names and Synonyms

Name of Substance

  • Boceprevir [USAN:INN]

Synonyms

  • (1R,2S,5S)-N-(3-Amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-((2S)-2-(((1,1-dimethylethyl)carbamoyl)amino)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexane-2-carboxamide
  • BOC
  • Boceprevir
  • EBP 520
  • HSDB 8081
  • SCH 503034
  • UNII-89BT58KELH
  • Victrelis

Systematic Name

  • 3-Azabicyclo(3.1.0)hexane-2-carboxamide, N-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-((2S)-2-((((1,1- dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6- dimethyl-, (1R,2S,5S)-

Registry Numbers

CAS Registry Number

  • 394730-60-0

FDA UNII

  • 89BT58KELH

System Generated Number

  • 0394730600

Structure Descriptors

InChI

1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1

InChIKey

LHHCSNFAOIFYRV-DOVBMPENSA-N

Smiles

CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C