SMILES:
CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N
Chemical Structure
Check the
Dabigatran
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid | |
|---|---|---|
| CAS Number | 211914-51-1 | |
| Molecular Formula |
C25H25N7O3 |
|
| Molecular Weight (MW) | 471.51 | |
| SMILES | CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N | |
| InChIKey | YBSJFWOBGCMAKL-UHFFFAOYSA-N |
|
Concentration
Volume
Mass
|
|---|
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
0.5 mg/mL
(1.06 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.) |
| Ethanol | 0.01 mg/mL |
| Water | Insoluble |
| DMSO |
Insoluble
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.) |
| Water | Insoluble |
| Ethanol | Insoluble |
| 5%TFA | 6.06 mg/mL |
| DMSO |
Insoluble
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.) |
| Water | Insoluble |
| 5%TFA | 6.09 mg/mL |
| DMSO |
Insoluble
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.) |
| Water | Insoluble |
| DMSO |
Insoluble
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.) |
| Water | Insoluble |
| Ethanol | 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).
Pre-aliquoted for Longevity: Solid-state aliquots offer significantly longer shelf life compared to stock solutions, ensuring maximum stability for every use.
Looking for a specific aliquot size? Reach out to your local sales representative or contact us at orders@selleckchem.com.
Note: Technical data last updated: Sep 1, 2026.