1. Primary Information
| English name: | Ponatinib Hydrochloride |
| CAS No.: | 1114544-31-8 |
| Molecular formula: | C29H28ClF3N6O |
| Molecular weight: | 569.0 g/mol |
| SMILES: | CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5.Cl |
| Structural class: | |
| Other identifiers: |
3-(2-(imidazo(1,2-b)pyridazin-3-yl)ethynyl)-4-methyl-N-(4-((4-methylpiperazin-y-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide AP 24534 AP-24534 AP24534 Iclusig |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | 98% | 256 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 416 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 98% | 704 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 1216 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;hydrochloride
4.2 InChI
InChI=1S/C29H27F3N6O.ClH/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);1H
4.3 InChIKey
BWTNNZPNKQIADY-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5.Cl
4.5 Isomeric SMILES
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