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Lapatinib ditosylate monohydrate

CAS Registry Number®

388082-78-8

CAS Name

Lapatinib ditosylate monohydrate

Molecular Formula

C29H26ClFN4O4S.2C7H8O3S.H2O

Cite this Page

Lapatinib ditosylate monohydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=388082-78-8 (retrieved 2024-11-23) (CAS RN: 388082-78-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H26ClFN4O4S.C7H8O3S.H2O/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19;1-6-2-4-7(5-3-6)11(8,9)10;/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);2-5H,1H3,(H,8,9,10);1H2

InChIKey

InChIKey=DFHHLTRPIUJKPY-UHFFFAOYSA-N

SMILES

N(C=1C2=C(C=CC(=C2)C=3OC(CNCCS(C)(=O)=O)=CC3)N=CN1)C4=CC(Cl)=C(OCC5=CC(F)=CC=C5)C=C4.S(=O)(=O)(O)C1=CC=C(C)C=C1.O

Canonical SMILES

O=S(=O)(O)C1=CC=C(C=C1)C.O=S(=O)(C)CCNCC=1OC(=CC1)C=2C=CC3=NC=NC(NC4=CC=C(OCC=5C=CC=C(F)C5)C(Cl)=C4)=C3C2.O

Other Names for this Substance

  • 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-, 4-methylbenzenesulfonate, hydrate (1:2:1)
  • 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-, bis(4-methylbenzenesulfonate), monohydrate
  • Lapatinib ditosylate monohydrate

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