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Substance Name: Propranolol glucuronide
RN: 66322-66-5
InChIKey: PCALHJGQCKATMK-PLEVBHNASA-N

Molecular Formula

  • C22-H29-N-O8

Molecular Weight

  • 435.47
 
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Names and Synonyms

Name of Substance

  • Propranolol glucuronide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66322-66-5

System Generated Number

  • 0066322665

Structure Descriptors

InChI

1S/C22H29NO8/c1-12(2)23-10-14(11-29-16-9-5-7-13-6-3-4-8-15(13)16)30-22-19(26)17(24)18(25)20(31-22)21(27)28/h3-9,12,14,17-20,22-26H,10-11H2,1-2H3,(H,27,28)/t14?,17-,18-,19+,20-,22+/m0/s1

InChIKey

PCALHJGQCKATMK-PLEVBHNASA-N

Smiles

O1[C@@H]([C@H]([C@H](O)[C@H]([C@@H]1O[C@@H](COc1cccc2c1cccc2)CNC(C)C)O)O)C(O)=O