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Product Overview

Product Code

TRC-D288650

CAS Number

31050-47-2

Product Format

Neat

Molecular Formula

C24H23NO8

Molecular Weight

453.44

API Family

Bisacodyl

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

Desacetyl Bisacodyl b-D-Glucuronide

CAS Number

31050-47-2

Molecular Formula

C24H23NO8

Molecular Weight

453.44

Accurate Mass

453.14

SMILES

OC(C=C1)=CC=C1C(C2=CC=CC=N2)C3=CC=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)C=C3

InChI

InChI=1S/C24H23NO8/c26-15-8-4-13(5-9-15)18(17-3-1-2-12-25-17)14-6-10-16(11-7-14)32-24-21(29)19(27)20(28)22(33-24)23(30)31/h1-12,18-22,24,26-29H,(H,30,31)/t18?,19-,20-,21+,22?,24+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-((4-hydroxyphenyl)(pyridin-2-yl)methyl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Bisacodyl

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