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Substance Name: Mirabegron o-glucuronide
RN: 1365244-65-0
UNII: GR82L4OOM4
InChIKey: SKLQDOWMJNKLOR-JBWRIQTRSA-N

Molecular Formula

  • C27-H32-N4-O8-S

Molecular Weight

  • 572.6358
 
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Names and Synonyms

Name of Substance

  • Mirabegron o-glucuronide

Synonyms

  • beta-D-Glucopyranosiduronic acid, (1R)-2-((2-(4-((2-(2-amino-4-thiazolyl)acetyl)amino)phenyl)ethyl)amino)-1-phenylethyl
  • Mirabegron (m11)
  • Mirabegron o-glucuronide
  • UNII-GR82L4OOM4
  • YM-382984

Registry Numbers

CAS Registry Number

  • 1365244-65-0

FDA UNII

  • GR82L4OOM4

System Generated Number

  • 1365244650

Structure Descriptors

InChI

1S/C27H32N4O8S/c28-27-31-18(14-40-27)12-20(32)30-17-8-6-15(7-9-17)10-11-29-13-19(16-4-2-1-3-5-16)38-26-23(35)21(33)22(34)24(39-26)25(36)37/h1-9,14,19,21-24,26,29,33-35H,10-13H2,(H2,28,31)(H,30,32)(H,36,37)/t19-,21-,22-,23+,24-,26+/m0/s1

InChIKey

SKLQDOWMJNKLOR-JBWRIQTRSA-N

Smiles

c1ccc(cc1)[C@H](CNCCc2ccc(cc2)NC(=O)Cc3csc(n3)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O