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dasatinib monohydrate
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).


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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > enzyme inhibitor [CHEBI:23924] > protein kinase inhibitor [CHEBI:37699]
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05. Industrial Uses: pharmaceutical [CHEBI:52217]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 enzyme inhibitor [CHEBI:23924] (825) 
 protein kinase inhibitor [CHEBI:37699] (69) 
 tyrosine kinase inhibitor [CHEBI:38637] (38) 
 dasatinib monohydrate [CHEBI:70839] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antineoplastic agent [CHEBI:35610] (760) 
 dasatinib monohydrate [CHEBI:70839] (1)
08. Chemical Category 
08. Chemical Category
 polyatomic entity [CHEBI:36357] (18777) 
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 addition compound [CHEBI:35504] (113) 
 hydrate [CHEBI:35505] (111) 
 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