2D Structure
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2D chemical structural formula diagram.
3D Structure
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This 3D model represents a theoretically simulated conformation and is for reference only.
Check the
Penbutolol Sulfate
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | bis((2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol);sulfuric acid | |
|---|---|---|
| CAS Number | 38363-32-5 | |
| Molecular Formula |
C18H29NO2.1/2H2O4S |
|
| Molecular Weight (MW) | 680.94 | |
| SMILES | CC(C)(C)NCC(O)COC1=C(C=CC=C1)C2CCCC2.CC(C)(C)NCC(O)COC3=C(C=CC=C3)C4CCCC4.O[S](O)(=O)=O | |
| InChIKey | FEDSNBHHWZEYTP-ZFQYHYQMSA-N |
|
Concentration
Volume
Mass
|
|---|
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
15 mg/mL
(22.02 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| DMSO |
6 mg/mL
(8.81 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.) |
| Ethanol | 3 mg/mL |
| Water | Insoluble |
| DMSO |
13 mg/mL
(19.09 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 6 mg/mL |
| Water | Insoluble |
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
- Preheat media/saline to 37°C.
- Mix rapidly (pipette/vortex) upon addition.
- For complex mixes, always add the aqueous phase last.
- Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).
Note: Technical data last updated: Sep 1, 2026.