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Substance Name: Lubabegron [USAN:INN]
RN: 391920-32-4
UNII: 8501207BZX
InChIKey: WIKLBKJBYSBYLL-QHCPKHFHSA-N

Molecular Formula

  • C29-H29-N3-O3-S

Molecular Weight

  • 499.6321
 
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Names and Synonyms

Name of Substance

  • Lubabegron [USAN:INN]

Synonyms

  • Lubabegron
  • LY 488756
  • LY488756
  • UNII-8501207BZX

Systematic Name

  • 3-Pyridinecarbonitrile, 2-(4-(2-(((2S)-2-hydroxy-3-(2-(2-thienyl)phenoxy]propyl)amino)-2-methylpropyl)phenoxy)-

Registry Numbers

CAS Registry Number

  • 391920-32-4

FDA UNII

  • 8501207BZX

System Generated Number

  • 0391920324

Structure Descriptors

InChI

1S/C29H29N3O3S/c1-29(2,17-21-11-13-24(14-12-21)35-28-22(18-30)7-5-15-31-28)32-19-23(33)20-34-26-9-4-3-8-25(26)27-10-6-16-36-27/h3-16,23,32-33H,17,19-20H2,1-2H3/t23-/m0/s1

InChIKey

WIKLBKJBYSBYLL-QHCPKHFHSA-N

Smiles

CC(C)(Cc1ccc(cc1)Oc2c(cccn2)C#N)NC[C@@H](COc3ccccc3c4cccs4)O