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Substance Name: Beclabuvir [USAN:INN]
RN: 958002-33-0
UNII: MYW1X5CO9S
InChIKey: ZTTKEBYSXUCBSE-QDFUAKMASA-N

Note

  • An NS5B inhibitor.

Classification Code

  • Treatment of Hepatitis C Infection

Molecular Formula

  • C36-H45-N5-O5-S

Molecular Weight

  • 659.8475
 
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Names and Synonyms

Name of Substance

  • Beclabuvir [USAN:INN]

Synonyms

  • (4bS,5aR)-12-Cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-5a-((3-methyl-3,8-diazabicyclo(3.2.1)oct-8-yl)carbonyl)-4b,5,5a,6-tetrahydrocyclopropa(d)indolo(2,1-a)(2)benzazepine-9-carboxamide
  • Beclabuvir
  • BMS 791325
  • BMS-791325
  • UNII-MYW1X5CO9S

Systematic Names

  • (4bS,5aR)-12-Cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-5a-((3-methyl-3,8-diazabicyclo(3.2.1)oct-8-yl)carbonyl)-4b,5,5a,6-tetrahydrocyclopropa(d)indolo(2,1-a)(2)benzazepine-9-carboxamide
  • Cycloprop(d)indolo(2,1-a)(2)benzazepine-9-carboxamide, 12-cyclohexyl-N-((dimethylamino)sulfonyl)-4b,5,5a,6-tetrahydro-3-methoxy-5a-((3-methyl-3,8-diazabicyclo(3.2.1)oct-8-yl)carbonyl)-, (4bS,5aR)-

Registry Numbers

CAS Registry Number

  • 958002-33-0

FDA UNII

  • MYW1X5CO9S

Other Registry Number

  • 1221573-80-3

System Generated Number

  • 0958002330

Structure Descriptors

InChI

1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24-,25+,30-,36-/m0/s1

InChIKey

ZTTKEBYSXUCBSE-QDFUAKMASA-N

Smiles

CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]34C[C@H]3c5cc(ccc5-c6c(c7ccc(cc7n6C4)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8)OC