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5-O-Desmethyl Omeprazole-[d3]

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General Information
Catalog: BLP-003076
CAS: 1189679-99-9
Molecular Formula: C16H14D3N3O3S
Molecular Weight: 334.41

Chemical Structure

Description	5-O-Desmethyl Omeprazole-[d3] is a labelled metabolite of an antiulcerative, Omeprazole.
Synonyms	2-[[(4-Methoxy-d3-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazol-5-ol
IUPAC Name	2-[[3,5-dimethyl-4-(trideuteriomethoxy)pyridin-2-yl]methylsulfinyl]-3H-benzimidazol-5-ol
Related CAS	151602-49-2 (unlabelled)
Canonical SMILES	CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)O
InChI	InChI=1S/C16H17N3O3S/c1-9-7-17-14(10(2)15(9)22-3)8-23(21)16-18-12-5-4-11(20)6-13(12)19-16/h4-7,20H,8H2,1-3H3,(H,18,19)/i3D3
InChI Key	TWXDTVZNDQKCOS-HPRDVNIFSA-N
Melting Point	202-204°C
Solubility	Soluble in Dimethylformamide, Dimethyl Sulfoxide, Ethanol, Methanol
Appearance	Light-Yellow Solid
Storage	-20°C