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N-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl Lansoprazole Sulfone-[d4]

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General Information
Catalog: BLP-006413
CAS: 1794945-95-1
Molecular Formula: C25H18D4F6N4O4S
Molecular Weight: 592.55

Chemical Structure

Description	N-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl Lansoprazole Sulfone-[d4] is the labelled analogue of N-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl Lansoprazole Sulfone, which is an impurity of Lansoprazole.
Synonyms	N-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl Lansoprazole-d4 Sulfone; 1-[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfonyl]]-1H-benzimidazole-d4
IUPAC Name	4,5,6,7-tetradeuterio-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfonyl]benzimidazole
Related CAS	1391052-41-7 (unlabelled)
Canonical SMILES	CC1=C(C=CN=C1CN2C3=CC=CC=C3N=C2S(=O)(=O)CC4=NC=CC(=C4C)OCC(F)(F)F)OCC(F)(F)F
InChI	InChI=1S/C25H22F6N4O4S/c1-15-18(32-9-7-21(15)38-13-24(26,27)28)11-35-20-6-4-3-5-17(20)34-23(35)40(36,37)12-19-16(2)22(8-10-33-19)39-14-25(29,30)31/h3-10H,11-14H2,1-2H3/i3D,4D,5D,6D
InChI Key	LXJWSKYRBBWSED-LNFUJOGGSA-N
Solubility	Slightly soluble in DMSO, Methanol
Appearance	Off-white Solid
Storage	Store at 2-8°C