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Substance Name: 8-Hydroxycarvedilol O-glucuronide
RN: 136657-39-1
InChIKey: VNOMSNHAOHVOPZ-IVODMCMDSA-N

Molecular Formula

  • C30-H34-N2-O11

Molecular Weight

  • 598.6016
 
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Names and Synonyms

Name of Substance

  • 8-Hydroxycarvedilol O-glucuronide

Synonym

  • 8-Ohcg

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 5-(2-hydroxy-3-((2-(2-methoxyphenoxy)ethyl)amino)propoxy)-9H-carbazol-1-yl, (R)-

Registry Numbers

CAS Registry Number

  • 136657-39-1

System Generated Number

  • 0136657391

Structure Descriptors

InChI

1S/C30H34N2O11/c1-39-19-8-2-3-9-20(19)40-13-12-31-14-16(33)15-41-21-10-5-7-18-23(21)17-6-4-11-22(24(17)32-18)42-30-27(36)25(34)26(35)28(43-30)29(37)38/h2-11,16,25-28,30-36H,12-15H2,1H3,(H,37,38)/t16-,25+,26+,27-,28+,30-/m1/s1

InChIKey

VNOMSNHAOHVOPZ-IVODMCMDSA-N

Smiles

COc1ccccc1OCCNC[C@H](COc2cccc3c2c4cccc(c4[nH]3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O