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Metabolic Research

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Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

3-Hydroxyacetaminophen-[d3]

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General Information
Catalog: BLP-012975
CAS: 1020719-47-4
Molecular Formula: C8H6D3NO3
Molecular Weight: 170.18

Chemical Structure

Description	3-Hydroxyacetaminophen-[d3] is the labelled analogue of 3-Hydroxyacetaminophen, which is a metabolite of Acetaminophen. Acetaminophen is a medication used for pain and inflammations.
Synonyms	3-Hydroxyacetaminophen D3; N-(3,4-Dihdyroxyphenyl)acetamide-d3; 4-Acetylaminopyrocatechol-d3; 4-(Acetylamino)catechol-d3
IUPAC Name	2,2,2-trideuterio-N-(3,4-dihydroxyphenyl)acetamide
Related CAS	37519-14-5 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C(=O)NC1=CC(=C(C=C1)O)O
Canonical SMILES	CC(=O)NC1=CC(=C(C=C1)O)O
InChI	InChI=1S/C8H9NO3/c1-5(10)9-6-2-3-7(11)8(12)4-6/h2-4,11-12H,1H3,(H,9,10)/i1D3
InChI Key	IPFBMHOMTSBTSU-FIBGUPNXSA-N
Melting Point	170-172 °C
Purity	≥98% by HPLC; ≥97% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Light Brown Solid
Storage	Store at -20°C under inert atmosphere