4-Hydroxy omeprazole

Base Information

• Chemical Name: 4-Hydroxy omeprazole
• CAS No.: 301669-82-9
• Molecular Formula: C₁₆H₁₇N₃O₃S
• Molecular Weight: 331.395
• DSSTox Substance ID: DTXSID60431694
• Mol file: 301669-82-9.mol

Synonyms:301669-82-9;4-HYDROXY OMEPRAZOLE;ESOMEPRAZOLE IMPURITY D;2-(((6-Methoxy-1H-benzo[d]imidazol-2-yl)sulfinyl)methyl)-3,5-dimethylpyridin-4-ol;2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-1H-pyridin-4-one;SCHEMBL7855102;DTXSID60431694;4-Hydroxy Omeprazole Preparation Kit;AC-30002;CS-0166378;FT-0669924;2-[(6-Methoxy-1H-benzimidazole-2-sulfinyl)methyl]-3,5-dimethylpyridin-4(1H)-one;2-(((5-Methoxy-1H-benzo[d]imidazol-2-yl)sulfinyl)methyl)-3,5-dimethylpyridin-4(1H)-one (Esomeprazole Impurity

Chemical Property of 4-Hydroxy omeprazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 200-201°C
• Refractive Index: 1.715
• Boiling Point: 630.5°C at 760 mmHg
• PKA: 8.39±0.28(Predicted)
• Flash Point: 335.115°C
• PSA: 107.05000
• Density: 1.46g/cm³
• LogP: 3.05010
• Storage Temp.: -20°C Freezer
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 331.09906259
• Heavy Atom Count: 23
• Complexity: 587

Purity/Quality:

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

4-HydroxyOmeprazolePreparationKit ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CNC(=C(C1=O)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC
• Uses: A metaboloite of Omeprazole, an anttiulcerative A metabolite of Omeprazole, an anttiulcerative. This compound is not stable and can only be generated for short periods of time in solution. We have been unable to quantify the exact amount of 4-hydroxyomeprazole generated or measure its half-life.

Technology Process of 4-Hydroxy omeprazole

There total 1 articles about 4-Hydroxy 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 (73590-58-6,326602-80-6) → C16H17N3O3S (301669-82-9) + rel-2-[[(3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-6-methoxy-1H-benzimidazole + C10H13NO2 + C9H11NO2S + 6-methoxy-1H-benzoimidazole-2-thiol (37052-78-1) + 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole (73590-85-9)

Guidance literature:

With sodium hydroxide; In water; at 80 ℃; for 48h;

DOI:10.1039/c9nj00932a

upstream raw materials:

omeprazole

Refernces