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Substance Name: Oxoprenolol glucuronide
RN: 53564-66-2
InChIKey: CJVSRVDYHNLUAN-DNPGXZAYSA-N

Note

  • Metabolite of oxprenolol.

Molecular Formula

  • C21-H31-N-O9

Molecular Weight

  • 441.474
 
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Names and Synonyms

Name of Substance

  • Oxoprenolol glucuronide

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 1-(((1-methylethyl)amino)methyl)-2-(2-(2-propenyloxy)phenoxy)ethyl

Registry Numbers

CAS Registry Number

  • 53564-66-2

System Generated Number

  • 0053564662

Structure Descriptors

InChI

1S/C21H31NO9/c1-4-9-28-14-7-5-6-8-15(14)29-11-13(10-22-12(2)3)30-21-18(25)16(23)17(24)19(31-21)20(26)27/h4-8,12-13,16-19,21-25H,1,9-11H2,2-3H3,(H,26,27)/t13?,16-,17-,18+,19-,21+/m0/s1

InChIKey

CJVSRVDYHNLUAN-DNPGXZAYSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)[C@@H](COc1c(cccc1)OCC=C)CNC(C)C