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Chemical structure of Nilotinib hydrochloride

GC25669

Nilotinib hydrochloride

Also known as 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;hydrochloride

Nilotinib hydrochloride (AMN-107) is the hydrochloride salt form of nilotinib, an orally bioavailable Bcr-Abl tyrosine kinase inhibitor with antineoplastic activity

ChemicalCAS923288-95-3MW565.98FormulaC28H22F3N7O·HCl
CAS number
923288-95-3
Molecular weight
565.98
Formula
C28H22F3N7O·HCl
Solubility
DMSO： 100 mg/mL (176·68 mM);Water： Insoluble;Ethanol： 2 mg/mL (3·53 mM)
InChIKey
VTGGYCCJUPYZSX-UHFFFAOYSA-N
Catalogue number
GC25669
Brand
GLPBIO
Computed properties PubChem CID 16006490 · TPSA 97.6 Ų · H-bond donors 3 · H-bond acceptors 9
TPSA
97.6 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
40

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

Computed descriptors from PubChem (CID 16006490), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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