Pyrotinib
[CAS# 1269662-73-8]

Identification

• Name: Pyrotinib
• Molecular Formula: C₃₂H₃₁ClN₆O₃
• Molecular Weight: 582.21
• CAS Registry Number: 1269662-73-8
• SMILES: CCOc1cc2c(cc1NC(=O)/C=C/[C@H]3CCCN3C)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccn5
• InChI: 1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1
• InChIKey: SADXACCFNXBCFY-IYNHSRRRSA-N