iMatinib related substance B

Modify Date: 2025-11-28 16:32:48

iMatinib related substance B structure	Common Name	iMatinib related substance B
	CAS Number	571186-93-1	Molecular Weight	525.602
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₉H₃₁N₇O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	4-[(4-methyl-1,4-dioxidopiperazine-1,4-diium-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
Synonym	More Synonyms

Molecular Formula	C₂₉H₃₁N₇O₃
Molecular Weight	525.602
Exact Mass	525.248840
PSA	138.66000
LogP	0.46
InChIKey	MFKGVMIUOYNDCV-UHFFFAOYSA-N
SMILES	Cc1ccc(NC(=O)c2ccc(C[N+]3([O-])CC[N+](C)([O-])CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
Storage condition	2-8°C

Imatinib (STI571)

CAS#:152459-95-5

iMatinib relate...

CAS#:571186-93-1

Literature: Svrcek, Jiri; Syslova, Kamila; Stibal, David; Kuzma, Marek; Kacer, Petr Research on Chemical Intermediates, 2014 , vol. 40, # 2 p. 619 - 626

Precursor 1
CAS#:152459-95-5 Imatinib (STI571)
DownStream 0

Benzamide, 4-[(4-methyl-1,4-dioxido-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-

4-[(4-Methyl-1,4-dioxido-1-piperazinyl)methyl]-N-(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)benzamide

RD-0071

iMatinibrelatedsubstanceB

Imatinib Impurity 2

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