Introduction：Basic information about CAS 1242175-40-1|(1S,2S,3S)-Aprepitant, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (1S,2S,3S)-Aprepitant |
|---|
| CAS Number | 1242175-40-1 | Molecular Weight | 534.427 |
|---|
| Density | 1.5±0.1 g/cm3 | Boiling Point | / |
|---|
| Molecular Formula | C23H21F7N4O3 | Melting Point | / |
|---|
| MSDS | / | Flash Point | / |
|---|
Names
| Name | (1S,2S,3S)-Aprepitant |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
|---|
| Molecular Formula | C23H21F7N4O3 |
|---|
| Molecular Weight | 534.427 |
|---|
| Exact Mass | 534.150208 |
|---|
| LogP | 4.23 |
|---|
| Index of Refraction | 1.564 |
|---|
| InChIKey | ATALOFNDEOCMKK-OUWQEXSBSA-N |
|---|
| SMILES | CC(OC1OCCN(Cc2n[nH]c(=O)[nH]2)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
|---|
Synonyms
| 3H-1,2,4-Triazol-3-one, 5-[[(2S,3S)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-2,4-dihydro- |
| 5-{[(2S,3S)-2-{(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)-4-morpholinyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Aprepitant Impurity 7 |
