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Substance Name: Bosutinib monohydrate
RN: 918639-08-4
UNII: 844ZJE6I55
InChIKey: BXPOSPOKHGNMEP-UHFFFAOYSA-N

Note

  • A 4-anilino-3-quinolinecarbonitrile dual inhibitor of Src and Abl kinases.

Classification Code

  • Antineoplastic Agents

Molecular Formula

  • C26-H29-Cl2-N5-O3.H2-O

Molecular Weight

  • 548.4679
 

Names and Synonyms

Name of Substance

  • Bosutinib monohydrate

Synonyms

  • 3-Quinolinecarbonitrile, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-, hydrate (1:1)
  • Bosulif
  • Bosutinib monohydrate
  • SKI-606 monohydrate
  • UNII-844ZJE6I55

Registry Numbers

CAS Registry Number

  • 918639-08-4

FDA UNII

  • 844ZJE6I55

System Generated Number

  • 0918639084

Structure Descriptors

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

O.COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl