Nilotinib hydrochloride Chemical Structure (2D and 3D)

2D Structure

2D chemical structural formula diagram.

3D Structure

This 3D model represents a theoretically simulated conformation and is for reference only.

Check the Nilotinib hydrochloride product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

CAS Number	923288-95-3
Molecular Formula	C₂₈H₂₂F₃N₇O.HCl
Molecular Weight (MW)	565.98
SMILES	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.Cl

Concentration Volume Mass

Batch:

All in vitro solubility values are batch-tested experimental data (non-literature values).

Solvent	Solubility & Note
DMSO	100 mg/mL (176.68 mM) (Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Ethanol	2 mg/mL
Water	Insoluble
DMSO	100 mg/mL (176.68 mM) (Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Ethanol	2 mg/mL
Water	Insoluble
DMSO	100 mg/mL (176.68 mM) (Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)

FAQ

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?