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Lansoprazole Sulfone-[d4]

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General Information
Catalog: BLP-012887
CAS: 1184999-77-6
Molecular Formula: C16H10D4F3N3O3S
Molecular Weight: 389.38

Chemical Structure

Description	Lansoprazole Sulfone-[d4] is the labelled analogue of Lansoprazole Sulfone, which is a metabolite of Lansoprazole, a gastric pump inhibitor.
Synonyms	Lansoprazole Sulfone-D4; 2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfonyl]-1H-benzimidazole-d4; AG 1813-d4
IUPAC Name	4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfonyl]-1H-benzimidazole
Related CAS	131926-99-3 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C2C(=C1[2H])NC(=N2)S(=O)(=O)CC3=NC=CC(=C3C)OCC(F)(F)F)[2H])[2H]
Canonical SMILES	CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
InChI	InChI=1S/C16H14F3N3O3S/c1-10-13(20-7-6-14(10)25-9-16(17,18)19)8-26(23,24)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	TVMJMCGRSSSSDJ-QFFDRWTDSA-N
Melting Point	214-216°C (dec.)
Purity	≥99% by HPLC; ≥99% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White to Pale Red Solid
Storage	Store at -20°C