(-)-Propranolol glucuronide

CAS Registry Number®

58657-78-6

CAS Name

(-)-Propranolol glucuronide

Molecular Formula

C22H29NO8

Molecular Mass

435.47

Cite this Page

(-)-Propranolol glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58657-78-6 (retrieved 2024-11-25) (CAS RN: 58657-78-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=PCALHJGQCKATMK-QBUJOIIVSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (1S)-1-[[(1-methylethyl)amino]methyl]-2-(1-naphthalenyloxy)ethyl
  • β-D-Glucopyranosiduronic acid, 1-[[(1-methylethyl)amino]methyl]-2-(1-naphthalenyloxy)ethyl, (S)-
  • (1S)-1-[[(1-Methylethyl)amino]methyl]-2-(1-naphthalenyloxy)ethyl β-D-glucopyranosiduronic acid
  • (-)-Propranolol glucuronide
  • (S)-Propranolol glucuronide

Deleted or Replaced CAS Registry Numbers

87144-74-9

CAS INSIGHTSTM
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