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N-Acetyl Mesalazine-[13C6]

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General Information
Catalog: BLP-004882
CAS: 1261392-91-9
Molecular Formula: C3[13C]6H9NO4
Molecular Weight: 201.13

Chemical Structure

Description	N-Acetyl Mesalazine-[13C6] is the labelled analogue of N-Acetyl Mesalazine, which is a metabolite of Mesalazine. It is a Salicylic Acid derivative. It is an inhibitor of recombinant human thiopurine methyltransferase (hTPMT).
Synonyms	N-Acetyl-5-aminosalicylic acid 13C6; N-Acetyl Mesalazine-13C6; [13C6]-N-Acetylmesalamine; [13C6]-N-Acetylmesalazine; 5-Acetylamino-2-hydroxybenzoic Acid-13C6; 3-Carboxyparacetamol-13C6; 5-Acetamidosalicylic Acid-13C6
IUPAC Name	5-acetamido-2-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic 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)/i2+1,3+1,4+1,6+1,7+1,8+1
InChI Key	GEFDRROBUCULOD-BOCFXHSMSA-N
Purity	>95%
Solubility	Slightly soluble in Methanol
Appearance	Light-brown Solid
Storage	Store at 2-8°C