Ifoxetine sulfate
bis((3R,4S)-4-(3,4-dimethylphenoxy)piperidin-3-ol);sulfuric acid
Also Known As: Ifoxetine sulfate|CGP-15210G|CGP 15210G|(3R,4S)-4-(3,4-dimethylphenoxy)piperidin-3-ol;sulfuric acid|(3R,4S)-4-(3,4-dimethylphenoxy)piperidin-3-ol; sulfuric acid|Sulfuric acid--4-(3,4-dimethylphenoxy)piperidin-3-ol (1/2)|3-Piperidinol, 4-(3,4-dimethylphenoxy)-, cis-, sulfate (2:1) (salt)|IUPAC: (3R,4S)-4-(3,4-dimethylphenoxy)piperidin-3-ol; Sulfuric Acid|Sulfuric acid--(3R,4S)-4-(3,4-dimethylphenoxy)piperidin-3-ol (1/2)
| Molecular Formula | C26H40N2O8S |
|---|---|
| Molecular Weight | 540.25055 g/mol |
| LogP | 2.15728 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 540.25055 |
| Monoisotopic Mass | 540.25055 |
| Heavy Atoms | 37 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 98518-48-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)O[C@H]2CCNC[C@H]2O)C.CC1=C(C=C(C=C1)O[C@H]2CCNC[C@H]2O)C.OS(=O)(=O)O |
| InChIKey | MJQRJFLTDXDFSO-NVGTXZLJSA-N |
Product Overview
Ifoxetine sulfate (CAS 98518-48-0), with molecular formula C26H40N2O8S and molecular weight 540.25055 g/mol. IUPAC: bis((3R,4S)-4-(3,4-dimethylphenoxy)piperidin-3-ol);sulfuric acid.
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