SMILES:
CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O.C(=CC(=O)O)C(=O)O
Chemical Structure
Check the
Bedaquiline fumarate
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| CAS Number | 845533-86-0 | |
|---|---|---|
| Molecular Formula |
C32H31BrN2O2.C4H4O4 |
|
| Molecular Weight (MW) | 671.58 | |
| SMILES | CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O.C(=CC(=O)O)C(=O)O |
|
Concentration
Volume
Mass
|
|---|
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
100 mg/mL
(148.9 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 4 mg/mL |
| Water | Insoluble |
| DMSO |
100 mg/mL
(148.9 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 4 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).
- Bedaquiline fumarate Clinical Trials
- Bedaquiline fumarate Solubility in DMSO
- Bedaquiline fumarate Stock Solution
- Bedaquiline fumarate Storage
- Bedaquiline fumarate Stability
- Bedaquiline fumarate Molecular Weight
- Bedaquiline fumarate CAS Number
- Bedaquiline fumarate Chemical Structure (2D and 3D)
- Bedaquiline fumarate SDS｜MSDS
Note: Technical data last updated: Sep 1, 2026.