MedKooCat#:100230
Name:Dasatinibmonohydrate
CAS#:863127-77-9(hydrate)
ChemicalFormula:C22H28ClN7O3S
ExactMass:487.15572
MolecularWeight:506.02
ElementalAnalysis:C,52.22;H,5.58;Cl,7.01;N,19.38;O,9.49;S,6.34
Synonym:BMS354825;BMS-354825;BMS354825.Dasatinib;USbrandname:Sprycel.
IUPAC/ChemicalName:N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamidemonohydrate.
InChiKey:XHXFZZNHDVTMLI-UHFFFAOYSA-N
InChiCode: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;/h4-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27);1H2
SMILESCode:O=C(C1=CN=C(NC2=NC(C)=NC(N3CCN(CCO)CC3)=C2)S1)NC4=C(C)C=CC=C4Cl.[H]O[H]
RelatedCAS#
863127-77-9(Dasatinibmonohydrate);
302962-49-8(Dasatinib).
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