Imatinib

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Systematic / IUPAC Name: 4-[(4-Methyl-1-piperazinyl)methyl]-N-(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)benzamide

ID: Reference2197

Other Names: Kinome;
Shantinib;
Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-;
4-[(4-Methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide;
N-(3-(4-(Pyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide ; more

Formula: C29H31N7O

Class: Therapeutics/Prescription Drugs

Spectral Data

Imatinib mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 2479
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods ESI
Analyzers FT
Last Modification 2/4/2015 4:59:55 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C29H31N7O/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)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
InChI Key KTUFNOKKBVMGRW-UHFFFAOYSA-N
Canonical SMILES CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
CAS
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Other Names Kinome;
Shantinib;
Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-;
4-[(4-Methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide;
N-(3-(4-(Pyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide;
Imatinibum;
Plivatinib;
Celonib;
Enliven;
Mesylonib;
Mitinab;
Imatib;
N-(4-Methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

In Other Databases

Wikipedia Imatinib
HMDb HMDB14757
KEGG D01441; D08066
PubChem 5291
ChEBI CHEBI:45783
DrugBank DB00619
ChemSpider 5101
ChEMBL CHEMBL941
ChemIDPlus 152459955; 220127571