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Merck
CN

PHL80593

Glucobrassicin potassium salt

phyproof® Reference Substance

Synonym(s):

3-Indolylmethyl glucosinolate potassium salt

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About This Item

Empirical Formula (Hill Notation):
C16H19KN2O9S2
CAS Number:
Molecular Weight:
486.56
UNSPSC Code:
41116107
NACRES:
NA.24
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grade

primary reference standard

product line

phyproof® Reference Substance

assay

≥90.0% (HPLC)

manufacturer/tradename

PhytoLab

application(s)

food and beverages

format

neat

storage temp.

−20°C

SMILES string

[K+].[S](=O)(=O)([O-])ONC(=Cc2c3c([nH]c2)cccc3)SC1OC(C(C(C1O)O)O)CO

InChI

1S/C16H20N2O9S2.K/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10;/h1-6,11,13-22H,7H2,(H,23,24,25);/q;+1/p-1

InChI key

COKBTOGVNCLGTL-UHFFFAOYSA-M

General description

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

Legal Information

phyproof is a registered trademark of PhytoLab GmbH & Co. KG


pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Skin Sens. 1

Storage Class

11 - Combustible Solids

wgk

WGK 3



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