2D Chemical StructureDatabase ID 46868423
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](NCCO2)C3=CC=C(C=C3)FStructure data verified · Database ID 46868423
Chemical Intermediate
Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'R)-Aprepitant
CAS 1185503-48-3Product ID 747252
| Intermediates | Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'R)-Aprepitant |
|---|---|
| IUPAC Name | — |
| CAS Number | 1185503-48-3 |
| Database ID | 46868423 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'R)-Aprepitant
Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'R)-Aprepitant (CAS 1185503-48-3) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number1185503-48-3
Database ID46868423
Molecular Formula—
Updated2026-10-16
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 46868423
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](NCCO2)C3=CC=C(C=C3)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 1185503-48-3Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'R)-Aprepitant
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