Analyte Name

N-Propoxy Bosutinib 4-Methylbenzenesulfonate

Molecular Formula

C36 H41 Cl2 N5 O6 S

Molecular Weight

742.712

Accurate Mass

741.215

SMILES

COc1cc(N(CCCOS(=O)(=O)c2ccc(C)cc2)c3c(cnc4cc(OCCCN5CCN(C)CC5)c(OC)cc34)C#N)c(Cl)cc1Cl

InChI

InChI=1S/C36H41Cl2N5O6S/c1-25-7-9-27(10-8-25)50(44,45)49-18-6-12-43(32-22-33(46-3)30(38)20-29(32)37)36-26(23-39)24-40-31-21-35(34(47-4)19-28(31)36)48-17-5-11-42-15-13-41(2)14-16-42/h7-10,19-22,24H,5-6,11-18H2,1-4H3

IUPAC

3-(2,4-dichloro-N-[3-cyano-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]-5-methoxyanilino)propyl 4-methylbenzenesulfonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat