![Benzamide, N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methyl-1-piperazinyl)-2-[(tetrahydro-2H-pyran-4-yl)(2,2,2-trifluoroacetyl)amino]- structure, CAS 1108745-38-5](/structures/210000/198107_1_1108745_38_5.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1108745-38-5 |
| Catalog No. | 2A-1196348 |
| Chinese Name | 恩曲替尼N-1 |
| Synonyms | MFCD32191004 |
| Molecular Formula | C31H34O2N6F2 |
| Molecular Weight | 560.65 |
| Density | 1.407±0.06 g/cm3(Predicted) |
| Boiling Point | 733.2±60.0 °C(Predicted) |
| Storage Condition | room temperature |
| PubChem ID | 141279492 |
| MDL Number | MFCD28129099 |
| SMILES | CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(N(C(=O)C(F)(F)F)C3CCOCC3)c2)CC1 |
| InChI | InChI=1S/C33H33F5N6O3/c1-42-8-10-43(11-9-42)25-3-4-26(29(19-25)44(32(46)33(36,37)38)24-6-12-47-13-7-24)31(45)39-30-27-17-20(2-5-28(27)40-41-30)14-21-15-22(34)18-23(35)16-21/h2-5,15-19,24H,6-14H2,1H3,(H2,39,40,41,45) |
| InChI Key | DAXQEJSQDHWUGJ-UHFFFAOYSA-N |
| MSDS | msds/198107_1_1108745_38_5.pdf |
| Transport Info | Product name: Entrectinib N-1 |
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