| SpectraBase Spectrum ID |
7lXGZjKeL9d |
| Name |
Ponatinib |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
11494 |
| Lot Number |
0454065-3 |
| CAS Registry Number |
943319-70-8 |
| Classification |
orally available, pan-Bcr-Abl tyrosine kinase inhibitor |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H27F3N6O |
| IUPAC Name |
3-(2-Imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]benzamide |
| 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 |
PHXJVRSECIGDHY-UHFFFAOYSA-N |
| Instrument Name |
Bio-Rad FTS |
| SMILES |
C(F)(F)(F)c1cc(ccc1CN1CCN(CC1)C)NC(c1cc(c(cc1)C)C#Cc1[n]2c(nc1)cccn2)=O |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
AP 24534; Iclusig |
| Technique |
KBr0 |
