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N-Propionyl Mesalazine-[d5]

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General Information
Catalog: BLP-012034
CAS: 1189861-06-0
Molecular Formula: C10H6D5NO4
Molecular Weight: 214.23

Chemical Structure

Synonyms	N-Propionyl Mesalazine D5; 2-Hydroxy-5-[(2H5)propanoylamino]benzoic acid
IUPAC Name	2-hydroxy-5-(2,2,3,3,3-pentadeuteriopropanoylamino)benzoic acid
Related CAS	93968-80-0 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C(=O)NC1=CC(=C(C=C1)O)C(=O)O
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)/i1D3,2D2
InChI Key	WQIMCNDDLFCXFG-ZBJDZAJPSA-N
Purity	95% atom D
Application	A labelled metabolite of Mesalazine (M258100).
Storage	Store at -20°C