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Substance Name: 4-Hydroxypropranololglucuronide
RN: 29858-53-5
InChIKey: BAKXCGCWLWKBFW-MBOKBCRSSA-N

Molecular Weight

  • 451.469
 
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Names and Synonyms

Results Name

  • 4-Hydroxypropranololglucuronide

Synonym

  • 4-Hydroxypropranololglucuronide

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 2-((4-hydroxy-1-naphthalenyl)oxy)-1-(((1-methylethyl)amino)methyl)ethyl

Registry Numbers

CAS Registry Number

  • 29858-53-5

System Generated Number

  • 0029858535

Structure Descriptors

InChI

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

InChIKey

BAKXCGCWLWKBFW-MBOKBCRSSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)[C@@H](COc1ccc(c2ccccc12)O)CNC(C)C