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CAS 1189891-71-1

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OMEPRAZOLE-D3 SULFONE

Description:
Omeprazole-D3 sulfone, identified by the CAS number 1189891-71-1, is a labeled derivative of the proton pump inhibitor omeprazole, which is commonly used to treat gastroesophageal reflux disease (GERD) and other conditions related to excessive stomach acid. This compound features a deuterated form of omeprazole, where specific hydrogen atoms are replaced with deuterium, a stable isotope of hydrogen. The sulfone group in its structure indicates the presence of a sulfur atom bonded to two oxygen atoms, contributing to its chemical stability and reactivity. Omeprazole-D3 sulfone is primarily utilized in pharmacokinetic studies to trace the metabolism and distribution of omeprazole in biological systems. Its characteristics include a relatively low solubility in water, but it is soluble in organic solvents, which is typical for many pharmaceutical compounds. The deuteration enhances its detection in analytical techniques such as mass spectrometry, allowing for precise tracking of drug metabolism and interactions in clinical research.
Formula:C17H16D3N3O4S
InChI:InChI=1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i3D3
InChI key:InChIKey=IXEQEYRTSRFZEO-HPRDVNIFSA-N
SMILES:S(CC1=C(C)C(OC)=C(C)C=N1)(=O)(=O)C=2NC=3C(N2)=CC=C(OC([2H])([2H])[2H])C3
Synonyms:
  • OMEPRAZOLE-D3 SULFONE
  • 5-Methoxy-d3-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole
  • Omeprazole sulfone-(5-methoxy-d3)
  • 2-[(4-Methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl]-5-(trideuteriomethoxy)-1H-benzimidazole
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