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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