more general categories    
information about this item 
 
 
03. Biological Effects of Specific Chemicals    
 
 
 
 
 
 
03. Biological Effects of Specific Chemicals  
 
 
 
 
 
 
 
  imatinib [CHEBI:45783]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  imatinib [CHEBI:45783]   (1)  
 
 
 
 
05. Industrial Uses    
 
 
 
 
 
 
05. Industrial Uses  
 
 
 
 
 
 
 
 
 
 
 
  imatinib [CHEBI:45783]   (1)  
 
 
 
 
08. Chemical Category    
 
 
 
 
 
 
08. Chemical Category  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  imatinib [CHEBI:45783]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  imatinib [CHEBI:45783]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  imatinib [CHEBI:45783]   (1)  
 
 
 
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  imatinib [CHEBI:45783]   (1)  
 
 
 
 
 
 
 
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  imatinib [CHEBI:45783]   (1)  
 
 
 
 
ChEBI Compound Accession Identifier :  
 [CHEBI:45783] 
 
ChEBI Compound Description :  
 A benzamide obtained by formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid with the primary aromatic amino group of 4-methyl-N(3)-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine. Used (as its mesylate salt) for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours. 
 
ChEBI Compound Identification Number :  
 45783 
 
ChEBI InChI Value :  
 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) 
 
ChEBI InChIKey Value :  
 KTUFNOKKBVMGRW-UHFFFAOYSA-N 
 
ChEBI Compound Name :  
 imatinib 
 
ChEBI SMILES Value :  
 CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1 
 
ChEBI Substance ID :  
 26697112 
 
ChEBI URL :  
 ChEBI:45783  
 
ChemSpider ID :  
 5101 
 
Ontomatica Chemical Accession Key (OnChAKey) :  
 KTUFNOKKBVMGRW_UHFFFAOYSA_N_000_000000 
 
PubChem Compound ID :  
 5291