spironolactone
- CAS:
- Other names:
- SMILES: CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@H]13
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 416.57 | 5 | 0 | 4.85 | 85.74000000000001 | 2 | 84 | 0.79 | C24H32O4S |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| NT_c0222 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [b-Cyclodextrin](1).[spironolactone] | 4.39 | phase solubility | Kaneto Uekama 1997 | |||
| [b-Cyclodextrin](1).[spironolactone] | 4.00 | 2.0 | 25.0 | HPLC-method | Valentino J. Stella 2000 | |
| [g-Cyclodextrin](1).[spironolactone] | 4.00 | phase solubility | Kaneto Uekama 1997 | |||
| [g-Cyclodextrin](1).[spironolactone] | 3.68 | 2.0 | 25.0 | HPLC-method | Valentino J. Stella 2000 | |
| [2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[spironolactone] | 4.20 | phase solubility | Kaneto Uekama 1997 | |||
| [2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[spironolactone] | 4.04 | 2.0 | 25.0 | HPLC-method | Valentino J. Stella 2000 | |
| [2-O-(2-Hydroxy)propyl-g-Cyclodextrin](1).[spironolactone] | 3.85 | phase solubility | Kaneto Uekama 1997 | |||