Name: Pinaverium-d4 Bromide
Brand: TRC
SKU: TRC-P465002

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Product Overview

Product Code

TRC-P465002

Product Format

Neat

Molecular Formula

C26 D4 H37 Br N O4 . Br

Molecular Weight

595.441

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Alternate CAS Number

53251-94-8

Unlabelled CAS Number

53251-94-8

Documentation

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Product Information

Analyte Name

Pinaverium-d4 Bromide

Molecular Formula

C26 D4 H37 Br N O4 . Br

Molecular Weight

595.441

Accurate Mass

593.165

SMILES

[Br-].[2H]C([2H])(OCC[C@H]1CC[C@H]2C[C@@H]1C2(C)C)C([2H])([2H])[N+]3(Cc4cc(OC)c(OC)cc4Br)CCOCC3

InChI

InChI=1S/C26H41BrNO4.BrH/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27;/h15,17,19,21-22H,5-14,16,18H2,1-4H3;1H/q+1;/p-1/t19-,21+,22+;/m1./s1/i8D2,12D2;

IUPAC

4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[1,1,2,2-tetradeuterio-2-[2-[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethoxy]ethyl]morpholin-4-ium;bromide

Alternate CAS Number

53251-94-8

Unlabelled CAS Number

53251-94-8

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

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