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Lansoprazole-[d4] N-Oxide

General Information
Catalog: BLP-014464
CAS: 1346604-20-3
Molecular Formula: C16H10D4F3N3O3S
Molecular Weight: 389.39
Chemical Structure
Lansoprazole-[d4] N-Oxide
Description A labelled impurity of Lansoprazole (L175000) formed during the bulk synthesis of the drug.
Synonyms 2-[[[3-Methyl-1-oxido-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole-d4;
IUPAC Name 4,5,6,7-tetradeuterio-2-[[3-methyl-1-oxido-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-2-yl]methylsulfinyl]-1H-benzimidazole
Isomeric SMILES [2H]C1=C(C(=C2C(=C1[2H])NC(=N2)S(=O)CC3=[N+](C=CC(=C3C)OCC(F)(F)F)[O-])[2H])[2H]
Canonical SMILES CC1=C(C=C[N+](=C1CS(=O)C2=NC3=CC=CC=C3N2)[O-])OCC(F)(F)F
InChI InChI=1S/C16H14F3N3O3S/c1-10-13(22(23)7-6-14(10)25-9-16(17,18)19)8-26(24)15-20-11-4-2-3-5-12(11)21-15/h2-7H,8-9H2,1H3,(H,20,21)/i2D,3D,4D,5D
InChI Key OBGHBYDDJGHGNS-QFFDRWTDSA-N

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