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Product Overview

Product Code

TRC-H952447

CAS Number

1189863-32-8

Product Format

Neat

Molecular Formula

C21H23D5ClNO4

Molecular Weight

398.94

Product Categories

TRC, Stable isotopes

Product Type

Bioactive small molecule, Stable Isotope Labelled

Alternate CAS Number

Free Base: 1190042-96-6

Unlabelled CAS Number

86383-31-5

Documentation

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Product Information

Chemical Data

Analyte Name

4-Hydroxy Propafenone-d5 Hydrochloride

CAS Number

1189863-32-8

Molecular Formula

C21H23D5ClNO4

Molecular Weight

398.94

Accurate Mass

398.2021

SMILES

Cl.[2H]C([2H])(NCCC)C([2H])(O)C([2H])([2H])Oc1cc(O)ccc1C(=O)CCc2ccccc2

InChI

InChI=1S/C21H27NO4.ClH/c1-2-12-22-14-18(24)15-26-21-13-17(23)9-10-19(21)20(25)11-8-16-6-4-3-5-7-16;/h3-7,9-10,13,18,22-24H,2,8,11-12,14-15H2,1H3;1H/i14D2,15D2,18D;

IUPAC

1-[4-hydroxy-2-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride

Alternate CAS Number

Free Base: 1190042-96-6

Unlabelled CAS Number

86383-31-5

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

A labelled metabolite of Propafenone.

References: Hege, H.G., et al.: Eur. J. Drug Metab. Pharmacokinet., 9, 41 (1984),

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4-Hydroxy Propafenone-d5 Hydrochloride

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