5-O-Desmethyl Omeprazole

Base Information

• Chemical Name: 5-O-Desmethyl Omeprazole
• CAS No.: 151602-49-2
• Molecular Formula: C₁₆H₁₇N₃O₃S
• Molecular Weight: 331.395
• UNII: QH71GLR6GT
• DSSTox Substance ID: DTXSID20439414
• Nikkaji Number: J516.085E
• Metabolomics Workbench ID: 42560
• Mol file: 151602-49-2.mol

Synonyms:5-O-Desmethyl Omeprazole;151602-49-2;5'-O-Desmethyl omeprazole;5-O-Desmethylomeprazole;5-o-Desmethyl-omeprazole;QH71GLR6GT;2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-3H-benzimidazol-5-ol;UNII-QH71GLR6GT;5-O-DesmethylOmeprazole-d3;1H-Benzimidazol-6-ol, 2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-;1H-Benzimidazol-6-ol, 2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-;1H-Benzimidazol-6-ol,2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-;5-Desmethylomeprazole;USRE49340, Rank 1;SCHEMBL7852684;SCHEMBL18966685;DTXSID20439414;CHEBI:169791;BDBM586110;5-O-Desmethyl- Omeprazole (RS-D7);AKOS015914439;AC-30003;CS-0166417;FT-0666190;A856229;2-[(4-Methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-benzimidazol-6-ol;2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulinyl]-3H-benzimidazol-5-ol;2-[[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl]-1h-benzo[d]imidazol-5-ol;2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl}-1H-1,3-benzodiazol-6-ol;2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazol-5-ol? (Omeprazole Impurity

Chemical Property of 5-O-Desmethyl Omeprazole

Chemical Property:

• Melting Point: 238-240℃
• Boiling Point: 630.5±65.0 °C(Predicted)
• PKA: 8.71±0.10(Predicted)
• PSA: 107.31000
• Density: 1.46±0.1 g/cm3(Predicted)
• LogP: 3.46240
• Storage Temp.: -20°C Freezer
• Solubility.: Dimethylformamide, Dimethyl Sulfoxide, Ethanol, Methanol
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 331.09906259
• Heavy Atom Count: 23
• Complexity: 439

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-O-Desmethyl Omeprazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)O
• Uses: A metaboloite of Omeprazole, an antiulcerative A metabolite of Omeprazole, an antiulcerative.

Technology Process of 5-O-Desmethyl Omeprazole

There total 1 articles about 5-O-Desmethyl Omeprazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

omeprazole (73590-58-6) → 5-O-Desmethylomeprazole (151602-49-2)

Guidance literature:

With human liver microsomes; NADPH-generating system; RETINOL; Further Variations:; Reagents; Enzyme kinetics; Enzymatic reaction;

DOI:10.1080/004982599238632

upstream raw materials:

omeprazole

Refernces