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Iguratimod-[d5]

General Information
Catalog: BLP-005871
CAS: 2816542-08-0
Molecular Formula: C17H9D5N2O6S
Molecular Weight: 379.39
Chemical Structure
Iguratimod-[d5]
Description Iguratimod-[d5] is a labelled analogue of Iguratimod, which acts as an anti-inflammatory agent, used primarily in the treatment of rheumatoid arthritis.
Synonyms Iguratimod-d5; N-[3-(Formylamino)-4-oxo-6-phenoxy-4H-1-benzopyran-7-yl]-methanesulfonamide-d5; 3-Formylamino-7-methylsulfonylamino-6-phenoxy-4H-1-benzopyran-4-one-d5; Careram-d5; Kolbet-d5; N-[3-(Formylamino)-4-oxo-6-phenoxy-4H-chromen-7-yl]methanesulfonamide-d5; T 614-d5; N-[3-(Formylamino)-4-oxo-6-(phen-2,3,4,5,6-d5)oxy-4H-1-benzopyran-7-yl]-methanesulfonamide; N-(7-(Methylsulfonamido)-4-oxo-6-(phenoxy-d5)-4H-chromen-3-yl)formamide
IUPAC Name N-[7-(methanesulfonamido)-4-oxo-6-(2,3,4,5,6-pentadeuteriophenoxy)chromen-3-yl]formamide
Related CAS 123663-49-0 (unlabelled)
Canonical SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=C(C=C3C(=C2)C(=O)C(=CO3)NC=O)NS(=O)(=O)C)[2H])[2H]
InChI InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)/i2D,3D,4D,5D,6D
InChI Key ANMATWQYLIFGOK-VIQYUKPQSA-N
Purity ≥95%; 98% atom D
Solubility Soluble in DMF, DMSO, Methanol
Appearance White crystalline solid
Storage Store at 2-8 °C

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