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Substance Name: Beclabuvir hydrochloride [USAN]
RN: 958002-36-3
UNII: 3KU5345YJF
InChIKey: IHXVACFNNPBRLK-OZSFMWOHSA-N

Note

  • An NS5B inhibitor.

Molecular Formula

  • C36-H45-N5-O5-S.Cl-H

Molecular Weight

  • 696.3084
 
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Names and Synonyms

Name of Substance

  • Beclabuvir hydrochloride [USAN]

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 monohydrochloride
  • Beclabuvir hydrochloride
  • BMS-791325 hydrochloride
  • BMS-791325-08
  • 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)-, hydrochloride (1:1), (4bS,5aR)-
  • UNII-3KU5345YJF

Registry Numbers

CAS Registry Number

  • 958002-36-3

FDA UNII

  • 3KU5345YJF

System Generated Number

  • 0958002363

Structure Descriptors

InChI

1S/C36H45N5O5S.ClH/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);1H/t24-,25+,30-,36-;/m0./s1

InChIKey

IHXVACFNNPBRLK-OZSFMWOHSA-N

Smiles

Cl.COc1ccc2c(c1)[C@@H]3C[C@@]3(Cn4c2c(C5CCCCC5)c6ccc(cc46)C(=O)NS(=O)(=O)N(C)C)C(=O)N7[C@@H]8CC[C@H]7CN(C)C8