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1346601-03-3

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1346601-03-3 Structure

1346601-03-3 Structure
IdentificationBack Directory
[CAS]

1346601-03-3
[Molecular Formula]

C8H5KNO4S
[MOL File]

1346601-03-3.mol
Chemical PropertiesBack Directory
[storage temp. ]

Hygroscopic, Refrigerator, Under Inert Atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[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;
[InChIKey]

MDAWATNFDJIBBD-FOMJDCLLSA-M
[SMILES]

O=S(OC1=CNC2=C([2H])C([2H])=C([2H])C([2H])=C21)([O-])=O.[K+]
[CAS Number Unlabeled]

2642-37-7
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

A labelled uremic toxin that acts as a potent endogenous agonist for the human aryl hydrocarbon receptor (AHR). Studies suggest that it is a sensitive and early biomarker of nephrotoxicity.
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