Ponatinib Hydrochloride
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;hydrochloride
Molecular Identity
Ponatinib Hydrochloride
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;hydrochloride
PubChem CID: 46908927
Ponatinib hydrochloride is the hydrochloride salt of ponatinib. It is a potent pan inhibitor of tyrosine kinases, active in all single resistance ABL kinase mutations including the T315l mutation. It is approved for the treatment of chronic myeloid leukemia. It has a role as an antineoplastic agent and a tyrosine kinase inhibitor. It contains a ponatinib(1+).
2D Structure
Properties
C29H28ClF3N6O
Molecular Formula
569.00
Molecular Weight
g/mol
568.1965
Exact Mass
Da
65.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
910
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5.ClIsomeric SMILES
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5.ClSynonyms(20)
Ponatinib hydrochloride1114544-31-8IclusigAP 24534 hydrochlorideAP24534 HCL96R6PU3D8JAP-24534 HClCHEBI:191940DTXSID50149655RefChem:58012DTXCID00721463-(2-(Imidazo(1,2-b)pyridazin-3-yl)ethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide monohydrochlorideBenzamide, 3-(2-Imidazo(1,2-B)Pyridazin-3-Ylethynyl)-4-Methyl-N-(4-((4-Methyl-1-Piperazinyl)Methyl)-3-(Trifluoromethyl)Phenyl)-, Hydrochloride (1:1)Ponatinib HClPonatinib Mono-hydrochloride
Data from PubChem (NCBI)
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