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Lansoprazole sulfide-[13C6]

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General Information
Catalog: BLP-001345
CAS: 1261392-56-6
Molecular Formula: C10[13C]6H14F3N3OS
Molecular Weight: 359.32

Chemical Structure

Description	Lansoprazole sulfide-[13C6] is a labelled sulfide of Lansoprazole. Lansoprazole sulfide has been used as a metabolite of Lansoprazole, as gastric pump inhibitor.
Synonyms	[13C6]-2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-1H-benzimidazole
IUPAC Name	2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole
Related CAS	103577-40-8 (unlabelled)
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)/i2+1,3+1,4+1,5+1,11+1,12+1
InChI Key	CCHLMSUZHFPSFC-SDHHWPBBSA-N
Purity	98%; 99% atom 13C
Appearance	Off-white to pale yellow solid