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Substance Name: Carvedilol glucuronide
RN: 114869-83-9
UNII: X2494I96FS
InChIKey: PUVQFGCELBOSRN-VKTJNCFWSA-N

Molecular Formula

  • C30-H34-N2-O10

Molecular Weight

  • 582.6026
 
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Names and Synonyms

Name of Substance

  • Carvedilol glucuronide

Synonyms

  • beta-D-Glucopyranosiduronic acid, 2-(9H-carbazol-4-yloxy)-1-(((2-(2-methoxyphenoxy)ethyl)amino)methyl)ethyl
  • Carvedilol glucuronide
  • Carvedilol glucuronide, (+/-)-
  • UNII-X2494I96FS

Registry Numbers

CAS Registry Number

  • 114869-83-9

FDA UNII

  • X2494I96FS

System Generated Number

  • 0114869839

Structure Descriptors

InChI

1S/C30H34N2O10/c1-38-21-10-4-5-11-22(21)39-14-13-31-15-17(41-30-27(35)25(33)26(34)28(42-30)29(36)37)16-40-23-12-6-9-20-24(23)18-7-2-3-8-19(18)32-20/h2-12,17,25-28,30-35H,13-16H2,1H3,(H,36,37)/t17?,25-,26-,27+,28-,30+/m0/s1

InChIKey

PUVQFGCELBOSRN-VKTJNCFWSA-N

Smiles

COc1ccccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O