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N-Acetyl Mesalazine-[d3]

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General Information
Catalog: BLP-012979
CAS: 93968-79-7
Molecular Formula: C9H6D3NO4
Molecular Weight: 198.19

Chemical Structure

Description	N-Acetyl Mesalazine-[d3] is the labelled analogue of N-Acetyl Mesalazine, which is a metabolite of Mesalazine and a derivative of Salicylic Acid.
Synonyms	N-Acetyl Mesalazine-d3; 5-(Acetylamino-d3)-2-hydroxybenzoic Acid; 3-Carboxyparacetamol-d3; 5-Acetamidosalicylic Acid-d3; CJ 46A-d3; N-Acetylmesalamine-d3; N-(Acetyl-d3)-5-aminosalicylic Acid; NSC 54183-d3
IUPAC Name	2-hydroxy-5-[(2,2,2-trideuterioacetyl)amino]benzoic acid
Related CAS	51-59-2 (unlabelled)
Canonical SMILES	CC(=O)NC1=CC(=C(C=C1)O)C(=O)O
InChI	InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-8(12)7(4-6)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14)/i1D3
InChI Key	GEFDRROBUCULOD-FIBGUPNXSA-N
Melting Point	219-224°C
Purity	98%; ≥98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White to Tan Solid
Storage	Store at -20°C under inert atmosphere