(R,R,R)-Aprepitant
- Product Name(R,R,R)-Aprepitant
- CAS1148113-53-4
- MFC23H21F7N4O3
- MW534.43
- EINECS
- MOL File1148113-53-4.mol
Chemical Properties
| Density | 1.51±0.1 g/cm3(Predicted) |
| pka | 8.06±0.20(Predicted) |
| Major Application | pharmaceutical (small molecule) |
| InChIKey | ATALOFNDEOCMKK-TVNIXMEMSA-N |
| SMILES | N1C(CN2CCO[C@H](O[C@@H](C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C)[C@H]2C2=CC=C(F)C=C2)=NC(=O)N1 |