N-[2-Chloro-6-(hydroxymethyl)phenyl]-2-({6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl}amino)-1,3-thiazole-5-carboxamide
[CAS# 910297-58-4]

Identification

• Name: N-[2-Chloro-6-(hydroxymethyl)phenyl]-2-({6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl}amino)-1,3-thiazole-5-carboxamide
• Synonyms: Hydroxymethyl Dasatinib
• Molecular Formula: C₂₂H₂₆ClN₇O₃S
• Molecular Weight: 504.00
• CAS Registry Number: 910297-58-4
• SMILES: Clc1cccc(c1NC(=O)c2sc(nc2)Nc4nc(nc(N3CCN(CCO)CC3)c4)C)CO
• InChI: 1S/C22H26ClN7O3S/c1-14-25-18(11-19(26-14)30-7-5-29(6-8-30)9-10-31)27-22-24-12-17(34-22)21(33)28-20-15(13-32)3-2-4-16(20)23/h2-4,11-12,31-32H,5-10,13H2,1H3,(H,28,33)(H,24,25,26,27)
• InChIKey: KZNOWBHQESWSTD-UHFFFAOYSA-N

Properties

• Density: 1.465g/cm³ (Cal.)
• Refractive index: 1.705 (Cal.)