Gandotinib

CAS Registry Number®

1229236-86-5
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CAS Name

Gandotinib

Molecular Formula

C23H25ClFN7O

Molecular Mass

469.94

Cite this Page

Gandotinib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1229236-86-5 (retrieved 2024-03-28) (CAS RN: 1229236-86-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    235.6-237.2 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)

InChIKey

InChIKey=SQSZANZGUXWJEA-UHFFFAOYSA-N

SMILES

C(C=1C=2N(C(CC3=C(F)C=C(Cl)C=C3)=C(C)N2)N=C(NC=4C=C(C)NN4)C1)N5CCOCC5

Canonical SMILES

FC1=CC(Cl)=CC=C1CC2=C(N=C3C(=CC(=NN32)NC4=NNC(=C4)C)CN5CCOCC5)C

Other Names for this Substance

  • Imidazo[1,2-b]pyridazin-6-amine, 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)-
  • 3-[(4-Chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine
  • LY 2784544
  • Gandotinib

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