Imatinib meta-methyl-piperazine impurity

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H31N7O
Molecular Weight	493.6027
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Imatinib meta-methyl-piperazine impurity

Structure Search

SMILES

CN1CCN(CC2=CC(=CC=C2)C(=O)NC3=CC(NC4=NC(=CC=N4)C5=CN=CC=C5)=C(C)C=C3)CC1

InChI

InChIKey=HIPOQAXTOUMJRW-UHFFFAOYSA-N

InChI=1S/C29H31N7O/c1-21-8-9-25(18-27(21)34-29-31-12-10-26(33-29)24-7-4-11-30-19-24)32-28(37)23-6-3-5-22(17-23)20-36-15-13-35(2)14-16-36/h3-12,17-19H,13-16,20H2,1-2H3,(H,32,37)(H,31,33,34)

HIDE SMILES / InChI

Molecular Formula	C29H31N7O
Molecular Weight	493.6027
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:09:17 GMT 2025` Edited by `admin` on `Wed Apr 02 17:09:17 GMT 2025`
Record UNII	M7TF3SZ5VV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

Imatinib meta-methyl-piperazine impurity

Common Name

English

N-(4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-3-((4-methylpiperazin-1-yl)methyl)benzamide

Systematic Name

English

N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

69716662

Created by admin on Wed Apr 02 17:09:17 GMT 2025 , Edited by admin on Wed Apr 02 17:09:17 GMT 2025

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EPA CompTox

DTXSID20741185

Created by admin on Wed Apr 02 17:09:17 GMT 2025 , Edited by admin on Wed Apr 02 17:09:17 GMT 2025

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FDA UNII

M7TF3SZ5VV

Created by admin on Wed Apr 02 17:09:17 GMT 2025 , Edited by admin on Wed Apr 02 17:09:17 GMT 2025

PRIMARY

CAS

1246819-59-9

Created by admin on Wed Apr 02 17:09:17 GMT 2025 , Edited by admin on Wed Apr 02 17:09:17 GMT 2025

PRIMARY