Imatinib (pyridine)-N-oxide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H31N7O2
Molecular Weight	509.6021
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Imatinib (pyridine)-N-oxide

Structure Search

SMILES

CN1CCN(CC2=CC=C(C=C2)C(=O)NC3=CC(NC4=NC(=CC=N4)C5=CC=C[N+]([O-])=C5)=C(C)C=C3)CC1

InChI

InChIKey=QEQWNPDNPZKKNH-UHFFFAOYSA-N

InChI=1S/C29H31N7O2/c1-21-5-10-25(18-27(21)33-29-30-12-11-26(32-29)24-4-3-13-36(38)20-24)31-28(37)23-8-6-22(7-9-23)19-35-16-14-34(2)15-17-35/h3-13,18,20H,14-17,19H2,1-2H3,(H,31,37)(H,30,32,33)

HIDE SMILES / InChI

Molecular Formula	C29H31N7O2
Molecular Weight	509.6021
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 17:31:14 GMT 2025` Edited by `admin` on `Wed Apr 02 17:31:14 GMT 2025`
Record UNII	R4J5Z2W69V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Imatinib (pyridine)-N-oxide

Common Name

English

CGP-72383

Preferred Name

English

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

Systematic Name

English

3-(2-((2-methyl-5-(4-((4-methylpiperazin-1-yl)methyl)benzamido)phenyl)amino)pyrimidin-4-yl)pyridine 1-oxide

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

R4J5Z2W69V

Created by admin on Wed Apr 02 17:31:14 GMT 2025 , Edited by admin on Wed Apr 02 17:31:14 GMT 2025

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PUBCHEM

9827642

Created by admin on Wed Apr 02 17:31:14 GMT 2025 , Edited by admin on Wed Apr 02 17:31:14 GMT 2025

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EPA CompTox

DTXSID10431381

Created by admin on Wed Apr 02 17:31:14 GMT 2025 , Edited by admin on Wed Apr 02 17:31:14 GMT 2025

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CAS

571186-92-0

Created by admin on Wed Apr 02 17:31:14 GMT 2025 , Edited by admin on Wed Apr 02 17:31:14 GMT 2025

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