{4-[6-({5-[(2-Chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl}amino)-2-methyl-4-pyrimidinyl]-1-piperazinyl}acetic acid
[CAS# 910297-53-9]

Identification

• Name: {4-[6-({5-[(2-Chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl}amino)-2-methyl-4-pyrimidinyl]-1-piperazinyl}acetic acid
• Synonyms: Dasatinib Carboxylic Acid
• Molecular Formula: C₂₂H₂₄ClN₇O₃S
• Molecular Weight: 501.99
• CAS Registry Number: 910297-53-9
• SMILES: Clc1cccc(c1NC(=O)c2sc(nc2)Nc4nc(nc(N3CCN(CC(=O)O)CC3)c4)C)C
• InChI: 1S/C22H24ClN7O3S/c1-13-4-3-5-15(23)20(13)28-21(33)16-11-24-22(34-16)27-17-10-18(26-14(2)25-17)30-8-6-29(7-9-30)12-19(31)32/h3-5,10-11H,6-9,12H2,1-2H3,(H,28,33)(H,31,32)(H,24,25,26,27)
• InChIKey: VMCDXJFWSYUNPO-UHFFFAOYSA-N

Properties

• Density: 1.461g/cm³ (Cal.)
• Refractive index: 1.695 (Cal.)