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Mesalamine-[13C6] Hydrochloride

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General Information
Catalog: BLP-011531
CAS: 1261398-47-3
Molecular Formula: C[13C]6H8ClNO3
Molecular Weight: 195.55

Chemical Structure

Description	Mesalamine-[13C6] is the labelled analogue of Mesalamine, which is an aminosalicylate anti-inflammatory drug used to treat inflammatory bowel disease.
Synonyms	Mesalamine-13C6 Hydrochloride; 5-Aminosalicylic Acid-13C6 Hydrochloride; 5-Amino-2-hydroxybenzoic Acid-13C6 Hydrochloride; Fisalamine-13C6 Hydrochloride; 5-ASA-13C6 Hydrochloride; Asacol-13C6 Hydrochloride; Asacolitin-13C6 Hydrochloride; Claversal-13C6 Hydrochloride; Mesasal-13C6 Hydrochloride; Pentasa-13C6 Hydrochloride
IUPAC Name	5-amino-2-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid;hydrochloride
Related CAS	89-57-6 (unlabelled free base) 6291-36-7 (unlabelled) 1189709-96-3 (free base)
Isomeric SMILES	[13CH]1=[13CH][13C](=[13C]([13CH]=[13C]1N)C(=O)O)O.Cl
Canonical SMILES	C1=CC(=C(C=C1N)C(=O)O)O.Cl
InChI	InChI=1S/C7H7NO3.ClH/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,9H,8H2,(H,10,11);1H/i1+1,2+1,3+1,4+1,5+1,6+1;
InChI Key	KKRSNTURHSOKTM-BVNCJLROSA-N
Melting Point	>165°C (dec.)
Purity	≥95%; ≥99% atom 13C
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly), Water (Slightly, Heated)
Appearance	Off-white to Light Grey Solid
Storage	Store at 2-8°C under inert atmosphere