Bosutinib monohydrate

CAS Registry Number®

918639-08-4
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CAS Name

Bosutinib monohydrate

Molecular Formula

C26H29Cl2N5O3.H2O

Cite this Page

Bosutinib monohydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=918639-08-4 (retrieved 2024-04-28) (CAS RN: 918639-08-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey=BXPOSPOKHGNMEP-UHFFFAOYSA-N

SMILES

N(C=1C2=C(C=C(OCCCN3CCN(C)CC3)C(OC)=C2)N=CC1C#N)C4=CC(OC)=C(Cl)C=C4Cl.O

Canonical SMILES

N#CC1=CN=C2C=C(OCCCN3CCN(C)CC3)C(OC)=CC2=C1NC4=CC(OC)=C(Cl)C=C4Cl.O

Other Names for this Substance

  • 3-Quinolinecarbonitrile, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-, hydrate (1:1)
  • Bosutinib monohydrate

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