| Chemical & Physical Properties | |
|---|---|
| CAS Number | 290297-26-6 |
| Catalog No. | 2A-9056359 |
| Chinese Name | 奈妥匹坦 |
| Synonyms | Netupitan; Netupitant; UNII-7732P08TIR |
| Molecular Formula | C30H32F6N4O |
| Molecular Weight | 578.59 |
| Purity | ≥98 (HPLC) |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 597.4±50.0 °C at 760 mmHg |
| Appearance | powder |
| Storage Condition | -20℃ |
| Application | Netupitant (CID-6451149) is a highly potent, selective, orally active Neurokinin-1 receptor (NK1) antagonist with a Ki value of 0.95nM. |
| MDL Number | MFCD25976831 |
| SMILES | FC(F)(F)c1cc(cc(c1)C(C)(C)C(=O)N(C)c2cnc(cc2c4c(cccc4)C)N3CCN(CC3)C)C(F)(F)F |
| InChI | 1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3 |
| InChI Key | WAXQNWCZJDTGBU-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/56359_1_290297_26_6.pdf |
| Transport Info | Product Name: Netupitant |
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