Radalbuvir

CAS Registry Number®

1314795-11-3
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CAS Name

Radalbuvir

Molecular Formula

C30H41NO6S

Molecular Mass

543.71

Cite this Page

Radalbuvir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1314795-11-3 (retrieved 2024-03-28) (CAS RN: 1314795-11-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H41NO6S/c1-20-5-7-21(8-6-20)27(32)31(25-17-24(11-13-29(2,3)4)38-26(25)28(33)34)22-9-14-30(35,15-10-22)19-37-23-12-16-36-18-23/h5,17,21-23,35H,6-10,12,14-16,18-19H2,1-4H3,(H,33,34)/t21-,22-,23-,30+/m0/s1

InChIKey

InChIKey=MUICUPWICXUNRS-GDCCIXDYSA-N

SMILES

N(C(=O)[C@@H]1CCC(C)=CC1)(C2=C(C(O)=O)SC(C#CC(C)(C)C)=C2)[C@H]3CC[C@@](CO[C@H]4CCOC4)(O)CC3

Canonical SMILES

O=C(O)C=1SC(C#CC(C)(C)C)=CC1N(C(=O)C2CC=C(C)CC2)C3CCC(O)(COC4COCC4)CC3

Other Names for this Substance

  • 2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-[[cis-4-hydroxy-4-[[[(3S)-tetrahydro-3-furanyl]oxy]methyl]cyclohexyl][[(1R)-4-methyl-3-cyclohexen-1-yl]carbonyl]amino]-
  • 5-(3,3-Dimethyl-1-butyn-1-yl)-3-[[cis-4-hydroxy-4-[[[(3S)-tetrahydro-3-furanyl]oxy]methyl]cyclohexyl][[(1R)-4-methyl-3-cyclohexen-1-yl]carbonyl]amino]-2-thiophenecarboxylic acid
  • Radalbuvir
  • GS 9669

Deleted or Replaced CAS Registry Numbers

1394849-23-0

CAS INSIGHTSTM
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