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Product Overview

Product Code

TRC-B871040

CAS Number

129572-48-1

Product Format

Neat

Molecular Formula

C16H18BrClN2O6

Molecular Weight

449.68

Product Categories

TRC, Stains & dyes

Product Type

Contaminant

Documentation

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Product Information

Chemical Data

Analyte Name

5-Bromo-4-chloro-3-indolyl-N-acetyl-b-D-galactosaminide

CAS Number

129572-48-1

Molecular Formula

C16H18BrClN2O6

Molecular Weight

449.68

Accurate Mass

448.0037

SMILES

CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc2c[nH]c3ccc(Br)c(Cl)c23

InChI

InChI=1S/C16H18BrClN2O6/c1-6(22)20-13-15(24)14(23)10(5-21)26-16(13)25-9-4-19-8-3-2-7(17)12(18)11(8)9/h2-4,10,13-16,19,21,23-24H,5H2,1H3,(H,20,22)/t10-,13-,14+,15-,16-/m1/s1

IUPAC

N-[(2S,3R,4R,5R,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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