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Lansoprazole Sulfide-[d4]

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General Information
Catalog: BLP-012888
CAS: 1216682-38-0
Molecular Formula: C16H10D4F3N3OS
Molecular Weight: 357.39

Chemical Structure

Description	Lansoprazole Sulfide-[d4] is the labelled analogue of Lansoprazole Sulfide, which is a metabolite of Lansoprazole, a gastric pump inhibitor.
Synonyms	Lansoprazole Sulfide-D4; 2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-1H-benzimidazole-d4; AG 1777-d4; H 225/18-d4; K 1252-d4
IUPAC Name	4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole
Related CAS	103577-40-8 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C2C(=C1[2H])NC(=N2)SCC3=NC=CC(=C3C)OCC(F)(F)F)[2H])[2H]
Canonical SMILES	CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCC(F)(F)F
InChI	InChI=1S/C16H14F3N3OS/c1-10-13(20-7-6-14(10)23-9-16(17,18)19)8-24-15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/i2D,3D,4D,5D
InChI Key	CCHLMSUZHFPSFC-QFFDRWTDSA-N
Melting Point	145-147°C
Purity	≥99% by HPLC; 99% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White Solid
Storage	Store at -20°C