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4-Acetaminophen sulfate-[d3]

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General Information
Catalog: BLP-013996
CAS: 1020718-78-8
Molecular Formula: C8H6D3NO5S
Molecular Weight: 234.24

Chemical Structure

Description	4-Acetaminophen sulfate-[d3] is the labelled analogue of 4-Acetaminophen sulfate, which is a metabolite of Acetaminophen.
Synonyms	4-Acetaminophen sulfate-d3; N-[4-(Sulfooxy)phenyl]acetamide-d3; N-Acetyl-p-aminophenyl-d3 Sulfate; Acetaminophen-d3 Sulfate; 4-Hydroxyacetanilide-d3 Sulfate; PCM-S-d3; Paracetamol-d3 O-Sulfate; Paracetamol-d3 Sulfate
IUPAC Name	[4-[(2,2,2-trideuterioacetyl)amino]phenyl] hydrogen sulfate
Related CAS	10066-90-7 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C(=O)NC1=CC=C(C=C1)OS(=O)(=O)O
Canonical SMILES	CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)O
InChI	InChI=1S/C8H9NO5S/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)/i1D3
InChI Key	IGTYILLPRJOVFY-FIBGUPNXSA-N
Melting Point	>205°C (dec.)
Purity	≥98%; ≥99% atom D
Solubility	Soluble in Methanol (Slightly), Water (Slightly)
Appearance	Off-White Solid
Storage	Store at -20°C