API0232573

Bosutinib Monohydrate

Bosutinib Monohydrate is an anticancer drug (tyrosine kinase inhibitor).

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Molecular Weight (g/mol)

548.5
Molecular Formula

C26H31Cl2N5O4
InChI

InChI=1S/C26H29Cl2N5O3.H2O/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;/h11-14,16H,4-10H2,1-3H3,(H,30,31);1H2
InChIKey

BXPOSPOKHGNMEP-UHFFFAOYSA-N
SMILES

CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC.O
IUPAC Name

4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile;hydrate
Exact Mass (Da)

547.1753099
Monoisotopic Mass (Da)

547.1753099

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