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N-Acetyl Sulfamethoxazole-[d4]

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General Information
Catalog: BLP-004879
CAS: 1215530-54-3
Molecular Formula: C12H9D4N3O4S
Molecular Weight: 299.34

Chemical Structure

Description	N-Acetyl Sulfamethoxazole-[d4] is the labelled analogue of N-Acetyl Sulfamethoxazole, which is a metabolite of Sulfamethoxazole.
Synonyms	N-Acetyl Sulfamethoxazole-d4; N-[4-[[(5-Methyl-3-isoxazolyl)amino]sulfonyl]phenyl]acetamide-d4; 4'-Acetyl-3-sulfa-5-methylisoxazole-d4; N4-Acetylsulfamethoxazole-d4; N4-Acetylsulfisomezole-d4; Acetylsulfamethoxazole D4; Sulfamethoxazole Impurity A-d4
IUPAC Name	N-[2,3,5,6-tetradeuterio-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
Related CAS	21312-10-7 (unlabelled)
Canonical SMILES	CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI	InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)/i3D,4D,5D,6D
InChI Key	GXPIUNZCALHVBA-LNFUJOGGSA-N
Melting Point	222-224°C
Purity	98%; 98% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	Light Orange to Light Brown Solid
Storage	Store at -20°C