N-(2-Chloro-4-hydroxy-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl}amino)-1,3-thiazole-5-carboxamide
[CAS# 910297-57-3]

Identification

• Name: N-(2-Chloro-4-hydroxy-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl}amino)-1,3-thiazole-5-carboxamide
• Synonyms: 4'-Hydroxy Dasatinib
• Molecular Formula: C₂₂H₂₆ClN₇O₃S
• Molecular Weight: 504.00
• CAS Registry Number: 910297-57-3
• SMILES: Clc1cc(O)cc(c1NC(=O)c2sc(nc2)Nc4nc(nc(N3CCN(CCO)CC3)c4)C)C
• InChI: 1S/C22H26ClN7O3S/c1-13-9-15(32)10-16(23)20(13)28-21(33)17-12-24-22(34-17)27-18-11-19(26-14(2)25-18)30-5-3-29(4-6-30)7-8-31/h9-12,31-32H,3-8H2,1-2H3,(H,28,33)(H,24,25,26,27)
• InChIKey: YYTXGSVGHHVHNZ-UHFFFAOYSA-N

Properties

• Density: 1.462g/cm³ (Cal.)
• Refractive index: 1.704 (Cal.)