Ponatinib

CAS Registry Number®

943319-70-8
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CAS Name

Ponatinib

Molecular Formula

C29H27F3N6O

Molecular Mass

532.56

Cite this Page

Ponatinib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=943319-70-8 (retrieved 2024-07-18) (CAS RN: 943319-70-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)

InChIKey

InChIKey=PHXJVRSECIGDHY-UHFFFAOYSA-N

SMILES

C(#CC1=CC(C(NC2=CC(C(F)(F)F)=C(CN3CCN(C)CC3)C=C2)=O)=CC=C1C)C=4N5C(=NC4)C=CC=N5

Canonical SMILES

O=C(NC1=CC=C(C(=C1)C(F)(F)F)CN2CCN(C)CC2)C3=CC=C(C(C#CC4=CN=C5C=CC=NN45)=C3)C

Other Names for this Substance

  • Benzamide, 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-
  • 3-(2-Imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]benzamide
  • Ponatinib
  • AP 24534
  • Iclusig

Deleted or Replaced CAS Registry Numbers

952306-26-2