4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile - methanol (1:1)
[CAS# 918639-10-8]

Identification

• Name: 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile - methanol (1:1)
• Synonyms: Bosutinib Methanoate
• Molecular Formula: C₂₇H₃₃Cl₂N₅O₄
• Molecular Weight: 562.49
• CAS Registry Number: 918639-10-8
• SMILES: CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC.CO
• InChI: 1S/C26H29Cl2N5O3.CH4O/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27;1-2/h11-14,16H,4-10H2,1-3H3,(H,30,31);2H,1H3
• InChIKey: KBLGKECLADKUHT-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)