4-[(4-Methyl-1-oxido-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide, 97+%, 97+%

cas: 938082-57-6 — see every product listed under this CAS number, including other names

4-[(4-Methyl-1-oxido-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide, 97+%, 97+% (CAS 938082-57-6) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 100mg. Offered by: Chemat.

• 2D
• 3D

4-[(4-methyl-1-oxidopiperazin-1-ium-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (CAS 938082-57-6) is a chemical compound with the molecular formula C29H31N7O2 and a molecular weight of 509.6 g/mol. IUPAC name: 4-[(4-methyl-1-oxidopiperazin-1-ium-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide. InChIKey: JOLLULXEPUYESM-UHFFFAOYSA-N.

Identity

Molecular formula	C29H31N7O2
Molecular weight	509.6 g/mol
IUPAC name	4-[(4-methyl-1-oxidopiperazin-1-ium-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
InChIKey	JOLLULXEPUYESM-UHFFFAOYSA-N
SMILES	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C[N+]3(CCN(CC3)C)[O-])NC4=NC=CC(=N4)C5=CN=CC=C5

Computed by PubChem (NCBI)

Synonyms: Imatinib (Piperazine)-N1-Oxide, Imatinib (Piperidine)-1-oxide, Imatinib impurity 3, Imatinib Impurity C, Imatinib (Piperidine)-N4-Oxide, 1-oxide iMatinib, Imatinib beta impurity E, Imatinib Piperazine-N4-Oxide, Imatinib-piperidine-1-N-oxide (under development)

Isomers (same molecular formula)

4-[(4-methyl-4-oxidopiperazin-4-ium-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide C₂₉H₃₁N₇O₂

N-[4-methyl-3-[[4-(1-oxidopyridin-1-ium-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide C₂₉H₃₁N₇O₂

N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-3-(4-methylphenyl)prop-2-ynamide C₂₉H₃₁N₇O₂

3-amino-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide C₂₉H₃₁N₇O₂

1-[4-[[3-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-3-cyclopropylurea C₂₉H₃₁N₇O₂

(3R)-5-[2-[5-cyano-2-methyl-4-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile C₂₉H₃₁N₇O₂