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3-Indoxyl Sulfate-[d5] potassium salt

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General Information
Catalog: BLP-013755
CAS: 1644451-34-2
Molecular Formula: C8HD5KNO4S
Molecular Weight: 256.33

Chemical Structure

Description	3-Indoxyl Sulfate-[d5] potassium salt is the labelled analogue of 3-Indoxyl Sulfate potassium salt. 3-Indoxyl Sulfate potassium salt is a uremic toxin that acts as a potent endogenous agonist for the human aryl hydrocarbon receptor (AHR).
Synonyms	3-Indoxyl Sulfate-d5 potassium salt; 1H-Indol-3-ol 3-(Hydrogen Sulfate)-d5 Potassium Salt; 1H-Indol-3-ol Hydrogen Sulfate (Ester)-d5 Monopotassium Salt; Indol-3-yl Potassium Sulfate-d5; Indol-3-ol Potassium Sulfate-d5; Indol-3-yl Sulfate Potassium Salt-d5; Potassium Indol-3-yl Sulfate-d5
IUPAC Name	potassium;(2,4,5,6,7-pentadeuterio-1H-indol-3-yl) sulfate
Related CAS	2642-37-7 (unlabelled) 1644527-73-0 (free acid)
Canonical SMILES	C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)[O-].[K+]
InChI	InChI=1S/C8H7NO4S.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,5D;
InChI Key	MDAWATNFDJIBBD-GWVWGMRQSA-M
Melting Point	>70°C (dec.)
Purity	≥96%; ≥98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Pale Yellow Solid
Storage	Store at 2-8°C under inert atmosphere