4-Hydroxypropranolol glucuronide

CAS Registry Number®

29858-53-5

CAS Name

4-Hydroxypropranolol glucuronide

Molecular Formula

C22H29NO9

Molecular Mass

451.47

Cite this Page

4-Hydroxypropranolol glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29858-53-5 (retrieved 2024-11-22) (CAS RN: 29858-53-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=BAKXCGCWLWKBFW-MBOKBCRSSA-N

SMILES

O(CC(O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)CNC(C)C)C=2C3=C(C(O)=CC2)C=CC=C3

Canonical SMILES

O=C(O)C1OC(OC(COC2=CC=C(O)C=3C=CC=CC23)CNC(C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 2-[(4-hydroxy-1-naphthalenyl)oxy]-1-[[(1-methylethyl)amino]methyl]ethyl
  • Glucopyranosiduronic acid, 2-[(4-hydroxy-1-naphthyl)oxy]-1-[(isopropylamino)methyl]ethyl, β-D-
  • 2-[(4-Hydroxy-1-naphthalenyl)oxy]-1-[[(1-methylethyl)amino]methyl]ethyl β-D-glucopyranosiduronic acid
  • 4-Hydroxypropranolol glucuronide

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