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5-[4-[2-[5-(2-Methyl-1,3-dioxolan-2-yl)-2-pyridyl]ethoxy-[d4]]benzylidene]-2,4-thiazolidinedione

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General Information
Catalog: BLP-007730
CAS: 1185247-50-0
Molecular Formula: C21H16D4N2O5S
Molecular Weight: 416.48

Chemical Structure

Description	A labelled metabolite of Pioglitazone.
Synonyms	5-[[4-[2-[5-(2-Methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethoxy-d4]phenyl]methylene]-2,4-thiazolidinedione
IUPAC Name	(5E)-5-[[4-[1,1,2,2-tetradeuterio-2-[5-(2-methyl-1,3-dioxolan-2-yl)pyridin-2-yl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Related CAS	184766-62-9 (unlabelled)
Canonical SMILES	CC1(OCCO1)C2=CN=C(C=C2)CCOC3=CC=C(C=C3)C=C4C(=O)NC(=O)S4
InChI	InChI=1S/C21H20N2O5S/c1-21(27-10-11-28-21)15-4-5-16(22-13-15)8-9-26-17-6-2-14(3-7-17)12-18-19(24)23-20(25)29-18/h2-7,12-13H,8-11H2,1H3,(H,23,24,25)/b18-12+/i8D2,9D2
InChI Key	DLZDCEKRRJKXND-QCENDGFVSA-N
Solubility	Soluble in Acetone, Chloroform, DMSO
Appearance	White Solid