Radotinib Hydrochloride
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzamide;dihydrochloride
Molecular Identity
Radotinib Hydrochloride
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzamide;dihydrochloride
PubChem CID: 131863586
2D Structure
Properties
C27H23Cl2F3N8O
Molecular Formula
603.40
Molecular Weight
g/mol
602.1324
Exact Mass
Da
111
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
10
H-Bond Acceptors
818
Complexity
SMILES
Canonical SMILES
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=NC=CN=C5.Cl.ClIsomeric SMILES
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=NC=CN=C5.Cl.ClSynonyms(19)
926037-85-6radotinib hydrochlorideEF516G9REZRadotinib hydrochloride [WHO-DD]UNII-EF516G9REZIY5511HClRefChem:1785594-Methyl-N-(3-(4-methylimidazol-1-yl)-5-trifluoromethylphenyl)-3-(4-(pyrazin-2-yl)pyrimidin-2-ylamino)benzamide Hydrochlorideradotinib dihydrochloride4-Methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(pyrazin-2-yl)pyrimidin-2-yl)amino)benzamide dihydrochlorideBenzamide, 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(2-pyrazinyl)-2-pyrimidinyl)amino)-, hydrochloride (1:2)Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(2-pyrazinyl)-2-pyrimidinyl]amino]-, hydrochloride (1:2)SCHEMBL30002961DTXSID801375012GLXC-23324
Data from PubChem (NCBI)
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