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Indoxyl-4,5,6,7-[d4] sulfate potassium salt

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General Information
Catalog: BLP-000679
CAS: 1346601-03-3
Molecular Formula: C8H2D4KNO4S
Molecular Weight: 255.33

Chemical Structure

Description	Indoxyl-4,5,6,7-[d4] sulfate potassium salt is the labelled analogue of 3-Indoxyl Sulfate Potassium Salt. 3-Indoxyl Sulfate Potassium Salt is an uremic toxin that acts as a potent endogenous agonist for the human aryl hydrocarbon receptor (AHR).
Synonyms	Deuterated indoxyl sulfate potassium salt; Potassium 3-indoxyl-4,5,6,7-d4 sulfate; Urinary indican-4,5,6,7-d4; Indoxyl-4,5,6,7-d4 sulfate potassium salt
IUPAC Name	potassium;(4,5,6,7-tetradeuterio-1H-indol-3-yl) sulfate
Related CAS	2642-37-7 (unlabelled) 487-94-5 (unlabelled free base)
Canonical SMILES	C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)[O-].[K+]
InChI	InChI=1S/C8H6NO4S.K/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;/h1-5,9H,(H,10,11,12);/q;+1/p-1/i1D,2D,3D,4D;
InChI Key	MDAWATNFDJIBBD-FOMJDCLLSA-M
Melting Point	165 °C
Purity	≥ 97% (CP); ≥ 97% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	−20 °C