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Substance Name: 1-Dehydropenbutolol 2-glucuronide
RN: 112829-48-8
UNII: PLE3FG4R6N
InChIKey: UPSDNBCAXQUGKP-KHYDEXNFSA-N

Molecular Formula

  • C24-H35-N-O8

Molecular Weight

  • 465.5395
 
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Names and Synonyms

Name of Substance

  • 1-Dehydropenbutolol 2-glucuronide

Synonyms

  • 1-Dehydropenbutolol 2-glucuronide
  • beta-D-Glucopyranosiduronic acid, 1-((2-cyclopentylphenoxy)methyl)-2-((1,1-dimethylethyl)amino)ethenyl
  • UNII-PLE3FG4R6N

Registry Numbers

CAS Registry Number

  • 112829-48-8

FDA UNII

  • PLE3FG4R6N

System Generated Number

  • 0112829488

Structure Descriptors

InChI

1S/C24H35NO8/c1-24(2,3)25-12-15(32-23-20(28)18(26)19(27)21(33-23)22(29)30)13-31-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-12,14,18-21,23,25-28H,4-5,8-9,13H2,1-3H3,(H,29,30)/t18-,19-,20+,21-,23+/m0/s1

InChIKey

UPSDNBCAXQUGKP-KHYDEXNFSA-N

Smiles

CC(C)(C)NC=C(COc1ccccc1C2CCCC2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O