more general categories    
information about this item 
 
 
03. Biological Effects of Specific Chemicals    
 
 
 
 
 
 
03. Biological Effects of Specific Chemicals  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  dasatinib monohydrate [CHEBI:70839]   (1)  
 
 
 
 
05. Industrial Uses    
 
 
 
 
 
 
05. Industrial Uses  
 
 
 
 
 
 
 
 
 
 
 
  dasatinib monohydrate [CHEBI:70839]   (1)  
 
 
 
 
08. Chemical Category    
 
 
 
 
 
 
08. Chemical Category  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  dasatinib monohydrate [CHEBI:70839]   (1)  
 
 
 
 
ChEBI Compound Accession Identifier :  
 [CHEBI:70839] 
 
ChEBI Compound Description :  
 A hydrate that is the monohydrate of dasatinib. It is used for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN). 
 
ChEBI Compound Identification Number :  
 70839 
 
ChEBI InChI Value :  
 "InChI=1S/C22H26ClN7O2S.H2O/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31;/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27);1H2" 
 
ChEBI InChIKey Value :  
 XHXFZZNHDVTMLI-UHFFFAOYSA-N 
 
ChEBI Compound Name :  
 dasatinib monohydrate 
 
ChEBI SMILES Value :  
 O.Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 
 
ChEBI Substance ID :  
 160645970 
 
ChEBI URL :  
 ChEBI:70839  
 
ChemSpider ID :  
 NS 
 
Ontomatica Chemical Accession Key (OnChAKey) :  
 XHXFZZNHDVTMLI_UHFFFAOYSA_N_000_000000 
 
PubChem Compound ID :  
 11540687