CAS 1194836-75-3 is the registry number for Saxagliptin Impurity 50. Offered by: Chemat Brand. Available pack sizes: on request.
[(5S,7R)-3-[(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]-1-adamantyl] 2,2,2-trifluoroacetate (CAS 1194836-75-3) is a chemical compound with the molecular formula C25H32F3N3O5 and a molecular weight of 511.5 g/mol. IUPAC name: [(5S,7R)-3-[(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]-1-adamantyl] 2,2,2-trifluoroacetate. InChIKey: IGFGYZHUXPKPJC-CTNNBOQCSA-N.
| Molecular formula | C25H32F3N3O5 |
|---|---|
| Molecular weight | 511.5 g/mol |
| IUPAC name | [(5S,7R)-3-[(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]-1-adamantyl] 2,2,2-trifluoroacetate |
| InChIKey | IGFGYZHUXPKPJC-CTNNBOQCSA-N |
| SMILES | CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@@H](C[C@H]2[C@@H]1C2)C#N)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)OC(=O)C(F)(F)F |
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