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Product Overview

Product Code

TRC-B400802

Product Format

Neat

Molecular Formula

C22 D13 H6 N O4

Molecular Weight

374.471

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Documentation

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Product Information

Chemical Data

Analyte Name

Bisacodyl-d13(Mixture of d12/d13)

Molecular Formula

C22 D13 H6 N O4

Molecular Weight

374.471

Accurate Mass

374.213

SMILES

[2H]c1nc(c([2H])c([2H])c1[2H])C([2H])(c2c([2H])c([2H])c(OC(=O)C)c([2H])c2[2H])c3c([2H])c([2H])c(OC(=O)C)c([2H])c3[2H]

InChI

InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,22D

IUPAC

[4-[(4-acetyloxy-2,3,5,6-tetradeuteriophenyl)-deuterio-(3,4,5,6-tetradeuteriopyridin-2-yl)methyl]-2,3,5,6-tetradeuteriophenyl] acetate

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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