Imatinib related substance B

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H31N7O3
Molecular Weight	525.6015
Optical Activity	NONE
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Imatinib related substance B

Structure Search

SMILES

CC1=C(NC2=NC(=CC=N2)C3=CN=CC=C3)C=C(NC(=O)C4=CC=C(C[N+]5([O-])CC[N+](C)([O-])CC5)C=C4)C=C1

InChI

InChIKey=MFKGVMIUOYNDCV-UHFFFAOYSA-N

InChI=1S/C29H31N7O3/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36(39)16-14-35(2,38)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)

HIDE SMILES / InChI

Molecular Formula	C29H31N7O3
Molecular Weight	525.6015
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:45:06 GMT 2025` Edited by `admin` on `Wed Apr 02 17:45:06 GMT 2025`
Record UNII	FYD49V99XD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Imatinib related substance B

Common Name

English

Imatinib (Piperidine)-N,N-dioxide

Preferred Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

571186-93-1

Created by admin on Wed Apr 02 17:45:06 GMT 2025 , Edited by admin on Wed Apr 02 17:45:06 GMT 2025

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FDA UNII

FYD49V99XD

Created by admin on Wed Apr 02 17:45:06 GMT 2025 , Edited by admin on Wed Apr 02 17:45:06 GMT 2025

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PUBCHEM

71749457

Created by admin on Wed Apr 02 17:45:06 GMT 2025 , Edited by admin on Wed Apr 02 17:45:06 GMT 2025

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EPA CompTox

DTXSID20857871

Created by admin on Wed Apr 02 17:45:06 GMT 2025 , Edited by admin on Wed Apr 02 17:45:06 GMT 2025

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