CAS Registry Number®
863127-77-9
CAS Name
Dasatinib monohydrate
Molecular Formula
C22H26ClN7O2S.H2O
Other Names and Identifiers
InChI
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
InChIKey
InChIKey=XHXFZZNHDVTMLI-UHFFFAOYSA-N
SMILES
N(C1=CC(N2CCN(CCO)CC2)=NC(C)=N1)C=3SC(C(NC4=C(C)C=CC=C4Cl)=O)=CN3.O
Canonical SMILES
O=C(NC=1C(Cl)=CC=CC1C)C=2SC(=NC2)NC=3N=C(N=C(C3)N4CCN(CCO)CC4)C.O
Other Names for this Substance
- 5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-, hydrate (1:1)
- 5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-, monohydrate
- BMS 35482503
- Dasatinib hydrate
- Dasatinib monohydrate
