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Acetaminophen dimer-[d6]

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General Information
Catalog: BLP-013776
CAS: 1794817-30-3
Molecular Formula: C16H10D6N2O4
Molecular Weight: 306.35

Chemical Structure

Description	Acetaminophen dimer-[d6] is the labelled analogue of Acetaminophen dimer, which is an oxidatively couple dimer of Acetaminaphen.
Synonyms	Acetaminophen dimer-d6; N,N'-(6,6'-Dihydroxy[1,1'-biphenyl]-3,3'-diyl)bisacetamide-d6; Paracetamol Dimer Impurity-d6
IUPAC Name	2,2,2-trideuterio-N-[4-hydroxy-3-[2-hydroxy-5-[(2,2,2-trideuterioacetyl)amino]phenyl]phenyl]acetamide
Related CAS	98966-14-4 (unlabelled)
Canonical SMILES	CC(=O)NC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)NC(=O)C)O
InChI	InChI=1S/C16H16N2O4/c1-9(19)17-11-3-5-15(21)13(7-11)14-8-12(18-10(2)20)4-6-16(14)22/h3-8,21-22H,1-2H3,(H,17,19)(H,18,20)/i1D3,2D3
InChI Key	PHJCCQZHFLRCAA-WFGJKAKNSA-N
Melting Point	150-152°C
Purity	98%; ≥99% atom D
Solubility	Soluble in DMSO, Methanol
Appearance	White Solid
Storage	Store at 2-8°C