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Product Overview

Product Code

TRC-B197002

Product Format

Neat

Molecular Formula

C22 D5 H23 N O3 . Br

Molecular Weight

439.397

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Alternate CAS Number

1050-48-2

Unlabelled CAS Number

1050-48-2

Product Information

Chemical Data

Analyte Name

rac-Benzilonium Bromide-d5

Molecular Formula

C22 D5 H23 N O3 . Br

Molecular Weight

439.397

Accurate Mass

438.157

SMILES

[Br-].[2H]C([2H])([2H])C([2H])([2H])[N+]1(CC)CCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3

InChI

InChI=1S/C22H28NO3.BrH/c1-3-23(4-2)16-15-20(17-23)26-21(24)22(25,18-11-7-5-8-12-18)19-13-9-6-10-14-19;/h5-14,20,25H,3-4,15-17H2,1-2H3;1H/q+1;/p-1/i1D3,3D2;

IUPAC

[1-ethyl-1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-diphenylacetate;bromide

Alternate CAS Number

1050-48-2

Unlabelled CAS Number

1050-48-2

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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