N-(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl Omeprazole Sulfone
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Basic information
- CAS
1346599-74-3- Standard SMILES
COc1ccc2c(c1)nc(S(=O)(=O)Cc1ncc(C)c(OC)c1C)n2Cc1ncc(C)c(OC)c1C- InChIKey
GAIYXRXEEIZGOI-UHFFFAOYSA-N- Molecular formula
- C26H30N4O5S
- Average molar mass
- 510.6 g/mol
- Monoisotopic mass
- 510.19369124
Names & identifiers
- Preferred name
- N-(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl Omeprazole Sulfone
- IUPAC
- 5-methoxy-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfonyl]benzimidazole
- English name
- N-(4-Methoxy-3,5-diMethyl-2-pyridinyl)Methyl OMeprazole Sulfone
- Molecular formula
- C26H30N4O5S
- Molecular weight
- 510.61
Names & synonyms
1346599-74-3N-(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl Omeprazole Sulfone5-methoxy-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl]benzimidazole5-Methoxy-1-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfonyl)-1H-benzo[d]imidazoleN-(4-Methoxy-3,5-dimethyl-2-pyridinyl)methylOmeprazole-d3SulfoneN-(4-Methoxy-3,5-dimethyl-2-pyridinyl)methylOmeprazoleSulfoneIM158400N-(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl Omeprazole Sulfone; 5-Methoxy-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazoleEsomeprazol Impurity 16Esomeprazole Impurity 16Esomeprazole Impurity 168N-(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl Omeprazole Sulfone N-(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl Omeprazole Sulfone
Show more names
1H-Benzimidazole, 5-methoxy-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 826
Physicochemical properties
- Boiling point
- 717.2 · 717.2±70.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 6 · 6.00±0.40(Predicted)
Chemistry & industry
Applications
UsesOmeprazole (O635000) impurity. Esomeprazole Impurity 16.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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