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N-Propionyl Mesalazine-[d3]

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General Information
Catalog: BLP-013068
CAS: 1330265-97-8
Molecular Formula: C10H8D3NO4
Molecular Weight: 212.22

Chemical Structure

Description	N-Propionyl Mesalazine-[d3] is the labelled analogue of N-Propionyl Mesalazine, which is a metabolite of Mesalazine. Mesalazine is an anti-inflammatory drug for the treatment of inflammatory bowel disease.
Synonyms	N-Propionyl Mesalazine D3; 2-Hydroxy-5-[(1-oxopropyl)amino]benzoic-d3 Acid; N-Propionyl-d3 Mesalamine; N-Propionyl 5-Aminosalicylic Acid-d3
IUPAC Name	2,4,5-trideuterio-6-hydroxy-3-(propanoylamino)benzoic acid
Related CAS	93968-80-0 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1NC(=O)CC)[2H])C(=O)O)O)[2H]
Canonical SMILES	CCC(=O)NC1=CC(=C(C=C1)O)C(=O)O
InChI	InChI=1S/C10H11NO4/c1-2-9(13)11-6-3-4-8(12)7(5-6)10(14)15/h3-5,12H,2H2,1H3,(H,11,13)(H,14,15)/i3D,4D,5D
InChI Key	WQIMCNDDLFCXFG-QGZYMEECSA-N
Purity	>95%