Prednisolone metasulfobenzoate
3-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]carbonylbenzenesulfonic acid
Also Known As: Prednisolone metasulfobenzoate, 3-{[(11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]carbonyl}benzenesulfonic acid, 3-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]carbonylbenzenesulfonic acid
| Molecular Formula | C28H32O9S |
|---|---|
| Molecular Weight | 544.1767 g/mol |
| LogP | 2.67 |
| Topological Polar Surface Area | 155.27 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 544.1767 |
| Heavy Atoms | 38 |
| Complexity | 1378 |
Chemical Identifiers
| CAS Number | 39175-74-1 |
|---|---|
| SMILES | CC12CC(C3C(C1CCC2(C(=O)COC(=O)C4=CC(=CC=C4)S(=O)(=O)O)O)CCC5=CC(=O)C=CC35C)O |
Product Overview
Prednisolone metasulfobenzoate (CAS 39175-74-1), with molecular formula C28H32O9S and molecular weight 544.1767 g/mol. IUPAC: 3-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]carbonylbenzenesulfonic acid.
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