2D Chemical StructureDatabase ID 135506334
No renderable structure data available
SMILES
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2[C@@H](N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)FStructure data verified · Database ID 135506334
Chemical Intermediate
(1R,2S,3S)-Aprepitant
CAS 172822-28-5Product ID 754422
| Intermediates | (1R,2S,3S)-Aprepitant |
|---|---|
| IUPAC Name | — |
| CAS Number | 172822-28-5 |
| Database ID | 135506334 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
(1R,2S,3S)-Aprepitant
(1R,2S,3S)-Aprepitant (CAS 172822-28-5) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number172822-28-5
Database ID135506334
Molecular Formula—
Updated2026-10-16
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 135506334
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2[C@@H](N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F
- InChI
- —
Safety Notice
Safety & Notes
For professional research and industrial use only. Review the supplier safety data sheet before handling.
PubChem References
Public References
These sources are listed in the compound's public database record.
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CAS 172822-28-5(1R,2S,3S)-Aprepitant
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