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Substance Name: Mirabegron N-glucuronide
RN: 1365244-68-3
UNII: 8Y8XEI3LHC
InChIKey: YBQVFLMYXJIJCA-ZEJZDXSBSA-N

Molecular Formula

  • C27-H32-N4-O8-S

Molecular Weight

  • 572.6358
 
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Names and Synonyms

Name of Substance

  • Mirabegron N-glucuronide

Synonyms

  • beta-D-Glucopyranuronic acid, 1-deoxy-1-((4-(2-((4-(2-(((2R)-2-hydroxy-2-phenylethyl)amino)ethyl)phenyl)amino)-2-oxoethyl)-2-thiazolyl)amino)-
  • Mirabegron (m14)
  • Mirabegron N-glucuronide
  • UNII-8Y8XEI3LHC
  • YM-554028

Registry Numbers

CAS Registry Number

  • 1365244-68-3

FDA UNII

  • 8Y8XEI3LHC

System Generated Number

  • 1365244683

Structure Descriptors

InChI

1S/C27H32N4O8S/c32-19(16-4-2-1-3-5-16)13-28-11-10-15-6-8-17(9-7-15)29-20(33)12-18-14-40-27(30-18)31-25-23(36)21(34)22(35)24(39-25)26(37)38/h1-9,14,19,21-25,28,32,34-36H,10-13H2,(H,29,33)(H,30,31)(H,37,38)/t19-,21-,22-,23+,24-,25+/m0/s1

InChIKey

YBQVFLMYXJIJCA-ZEJZDXSBSA-N

Smiles

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