143231-38-3

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143231-38-3 Structure

Identification	Back Directory
[Name] Glucobrassicin potassium salt
[CAS] 143231-38-3
[Synonyms] Glucobrassicin potassium salt 3-Indolylmethylglucosinolate potassium salt
[Molecular Formula] C16H20KN2O9S2*
[MDL Number] MFCD16294848
[MOL File] 143231-38-3.mol
[Molecular Weight] 487.566

Chemical Properties	Back Directory
[storage temp. ] -20°C
[form ] Solid
[color ] Pale purple to light pink
[Major Application] food and beverages
[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
[InChIKey] COKBTOGVNCLGTL-UHFFFAOYSA-M
[SMILES] [K+].[S](=O)(=O)([O-])ONC(=Cc2c3c([nH]c2)cccc3)SC1OC(C(C(C1O)O)O)CO

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H317
[Precautionary statements ] P261-P272-P280-P333+P313-P362+P364-P501
[WGK Germany ] WGK 3
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Skin Sens. 1

Hazard Information	Back Directory
[Uses] food and beverages

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