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Substance Name: 4-Hydroxypropranolol glucuronide
RN: 94731-13-2
InChIKey: GCESUDQAKCEBSY-MBOKBCRSSA-N

Molecular Formula

  • C22-H29-N-O9

Molecular Weight

  • 451.469
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxypropranolol glucuronide

Synonyms

  • 4-Hopg
  • p-Hydroxypropranolol glucuronide

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-1-naphthalenyl, (5alpha,6beta)-

Registry Numbers

CAS Registry Number

  • 94731-13-2

System Generated Number

  • 0094731132

Structure Descriptors

InChI

1S/C22H29NO9/c1-11(2)23-9-12(24)10-30-15-7-8-16(14-6-4-3-5-13(14)15)31-22-19(27)17(25)18(26)20(32-22)21(28)29/h3-8,11-12,17-20,22-27H,9-10H2,1-2H3,(H,28,29)/t12?,17-,18-,19+,20-,22+/m0/s1

InChIKey

GCESUDQAKCEBSY-MBOKBCRSSA-N

Smiles

O1[C@@H](Oc2c3c(cccc3)c(OC[C@@H](O)CNC(C)C)cc2)[C@@H]([C@H]([C@@H]([C@H]1C(O)=O)O)O)O