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4-Acetaminophen sulfate-[d3] potassium

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General Information
Catalog: BLP-013990
CAS: 1188263-45-7
Molecular Formula: C8H5D3KNO5S
Molecular Weight: 272.34

Chemical Structure

Description	4-Acetaminophen sulfate-[d3] potassium is the labelled analogue of 4-Acetaminophen sulfate potassium, which is a metabolite of Acetaminophen.
Synonyms	4-Acetaminophen sulfate-d3 potassium; N-[4-(Sulfooxy)phenyl]acetamide-d3 Monopotassium Salt; 4-Hydroxyacetanilide-d3 Sulfate Potassium Salt; PCM-S-d3 Potassium Salt; Paracetamol-d3 Sulfate Potassium Salt; Potassium N-Acetyl-p-aminophenyl-d3 Sulfate
IUPAC Name	potassium;[4-[(2,2,2-trideuterioacetyl)amino]phenyl] sulfate
Related CAS	32113-41-0 (unlabelled) 1020718-78-8 (free acid)
Isomeric SMILES	[2H]C([2H])([2H])C(=O)NC1=CC=C(C=C1)OS(=O)(=O)[O-].[K+]
Canonical SMILES	CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)[O-].[K+]
InChI	InChI=1S/C8H9NO5S.K/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13;/h2-5H,1H3,(H,9,10)(H,11,12,13);/q;+1/p-1/i1D3;
InChI Key	AJYPYWFCUWHZMZ-NIIDSAIPSA-M
Melting Point	180-182°C (dec.)
Purity	≥96%; ≥99% atom D
Solubility	Soluble in DMSO (Slightly), Water (Slightly)
Appearance	White Solid
Storage	Store at 2-8°C under inert atmosphere