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N-Acetyl Sulfapyridine-[d4]

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General Information
Catalog: BLP-004880
CAS: 1189732-52-2
Molecular Formula: C13H9D4N3O3S
Molecular Weight: 295.35

Chemical Structure

Description	N-Acetyl Sulfapyridine-[d4] is the labelled analogue of N-Acetyl Sulfapyridine, which is a major active metabolite related to the adverse effects of Sulfasalazine in human serum. Sulfasalazine is a drug used to treat rheumatoid arthritis, ulcerative colitis and Crohn's disease.
Synonyms	N-Acetyl Sulfapyridine D4; N-[4-[(2-Pyridinylamino)sulfonyl]phenyl-d4]acetamide; 4'-(2-Pyridylsulfamoyl)acetanilide-d4; N4-Acetylsulfapyridine-d4
IUPAC Name	N-[2,3,5,6-tetradeuterio-4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
Related CAS	19077-98-6 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1NC(=O)C)[2H])[2H])S(=O)(=O)NC2=CC=CC=N2)[2H]
Canonical SMILES	CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2
InChI	InChI=1S/C13H13N3O3S/c1-10(17)15-11-5-7-12(8-6-11)20(18,19)16-13-4-2-3-9-14-13/h2-9H,1H3,(H,14,16)(H,15,17)/i5D,6D,7D,8D
InChI Key	CYLYVXPHAQLXFG-KDWZCNHSSA-N
Melting Point	>206°C (dec.)
Purity	98%; 98% atom D
Solubility	Slightly soluble in Methanol
Appearance	Off-white to Pale Yellow Solid
Storage	Store at 2-8°C