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Substance Name: Mirabegron N-carbamoylglucuronide
RN: 1365244-67-2
UNII: Q9302UF4GX
InChIKey: IJLOKJZIHTWZDZ-FBZAMZGSSA-N

Molecular Formula

  • C28-H32-N4-O10-S

Molecular Weight

  • 616.6448
 
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Names and Synonyms

Name of Substance

  • Mirabegron N-carbamoylglucuronide

Synonyms

  • beta-D-Glucopyranuronic acid, 1-(N-(2-(4-((2-(2-amino-4-thiazolyl)acetyl)amino)phenyl)ethyl)-N-((2R)-2-hydroxy-2-phenylethyl)carbamate)
  • Mirabegron (m13)
  • Mirabegron N-carbamoylglucuronide
  • UNII-Q9302UF4GX
  • YM-538859

Registry Numbers

CAS Registry Number

  • 1365244-67-2

FDA UNII

  • Q9302UF4GX

System Generated Number

  • 1365244672

Structure Descriptors

InChI

1S/C28H32N4O10S/c29-27-31-18(14-43-27)12-20(34)30-17-8-6-15(7-9-17)10-11-32(13-19(33)16-4-2-1-3-5-16)28(40)42-26-23(37)21(35)22(36)24(41-26)25(38)39/h1-9,14,19,21-24,26,33,35-37H,10-13H2,(H2,29,31)(H,30,34)(H,38,39)/t19-,21-,22-,23+,24-,26-/m0/s1

InChIKey

IJLOKJZIHTWZDZ-FBZAMZGSSA-N

Smiles

c1ccc(cc1)[C@H](CN(CCc2ccc(cc2)NC(=O)Cc3csc(n3)N)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O