化学标识
Ponatinib
未列出 · C29H27F3N6O
01化学标识
| Lazychem ID | LC-63592 |
|---|---|
| CAS RN | 未列出 |
| PubChem CID | 24826799 |
| Molecular formula | C29H27F3N6O |
| Molecular weight | 532.6 g/mol |
| IUPAC name | 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide |
| InChIKey | PHXJVRSECIGDHY-UHFFFAOYSA-N |
02结构与立体化学
2D structurePubChem CID 24826799

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 5 |
| Secondary amines | 0 |
| Tertiary amines | 2 |
| 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 |
|---|---|
| InChI | 未列出 |
03印度监管状态
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
04名称与关联
原料药与母体药物
未列出
名称与关联
05来源
- S01PubChem CID 24826799
Structure and machine-readable chemical identifiers.
