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5-O-Desmethyl Omeprazole-[d3] Sulfide

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General Information
Catalog: BLP-003077
CAS: 1189968-01-1
Molecular Formula: C16H14D3N3O2S
Molecular Weight: 318.41

Chemical Structure

Description	5-O-Desmethyl Omeprazole-[d3] Sulfide is a labelled metabolite of an antiulcerative, Omeprazole.
Synonyms	2-[[(4-(Methoxy-d3)-3,5-dimethyl-2-pyridinyl)methyl]thio]-1H-benzimidazol-6-ol; 5-Hydroxy-2-[[(4-(methoxy-d3)-3,5-dimethyl-2-pyridinyl)methyl]thio]-1H-benzimidazole
IUPAC Name	2-[[3,5-dimethyl-4-(trideuteriomethoxy)pyridin-2-yl]methylsulfanyl]-3H-benzimidazol-5-ol
Related CAS	103877-02-7 (unlabelled)
Canonical SMILES	CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)O
InChI	InChI=1S/C16H17N3O2S/c1-9-7-17-14(10(2)15(9)21-3)8-22-16-18-12-5-4-11(20)6-13(12)19-16/h4-7,20H,8H2,1-3H3,(H,18,19)/i3D3
InChI Key	QAPIOBRWGYAHRI-HPRDVNIFSA-N
Solubility	Soluble in DMSO, Methanol
Appearance	Light Yellow Solid