Prednazoline
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole
| Molecular Formula | C34H47N2O9P |
|---|---|
| Molecular Weight | 658.7 g/mol |
| Topological Polar Surface Area | 175.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 658.30194 |
| Heavy Atoms | 46 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 6693-90-9 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1OCC2=NCCN2.CC12CC(C3C(C1CCC2(C(=O)COP(=O)(O)O)O)CCC4=CC(=O)C=CC34C)O |
| InChIKey | WBNNIURTBZHJTI-WDCKKOMHSA-N |
📖 Product Overview
Prednazoline (CAS: 6693-90-9) is a chemical compound with molecular formula C34H47N2O9P and molecular weight 658.7 g/mol. Its IUPAC systematic name is [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole.
WBNNIURTBZHJTI-WDCKKOMHSA-N.
SMILES: CC(C)C1=CC=CC=C1OCC2=NCCN2.CC12CC(C3C(C1CCC2(C(=O)COP(=O)(O)O)O)CCC4=CC(=O)C=CC34C)O.
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