172822-29-6
172822-29-6 structure
- Name: Ent-Aprepitant
- Chemical Name: 5-[[(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
- CAS Number: 172822-29-6
- Molecular Formula: C23H21F7N4O3
- Molecular Weight: 534.42700
- Create Date: 2016-02-11 15:38:09
- Modify Date: 2025-08-25 16:57:10
| Name | 5-[[(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one |
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| Synonyms |
Emend
Aprepitant-MK-0869 ent-Aprepitant MK0869 Aprepitant Impurity 1 |
| Molecular Formula | C23H21F7N4O3 |
|---|---|
| Molecular Weight | 534.42700 |
| Exact Mass | 534.15000 |
| PSA | 83.50000 |
| LogP | 5.30230 |
| RIDADR | NONH for all modes of transport |
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|
~95%
172822-29-6 |
| Literature: Gangula, Srinivas; Elati, Chandrashekhar R.; Mudunuru, Satish Varma; Nardela, Anitha; Dongamanti, Ashok; Bhattacharya, Apurba; Bandichhor, Rakeshwar Synthetic Communications, 2010 , vol. 40, # 15 p. 2254 - 2268 |
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~%
172822-29-6 |
| Literature: Chinese Chemical Letters, , vol. 24, # 12 p. 1118 - 1122 |
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~%
172822-29-6 |
| Literature: Chinese Chemical Letters, , vol. 24, # 12 p. 1118 - 1122 |
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172822-29-6 |
| Literature: Chinese Chemical Letters, , vol. 24, # 12 p. 1118 - 1122 |
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172822-29-6 |
| Literature: Chinese Chemical Letters, , vol. 24, # 12 p. 1118 - 1122 |
| Precursor 5 | |
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| DownStream 0 | |