New synthesis of a late-stage tetracyclic key intermediate of lumateperone
Mátyás Milen, Bálint Nyulasi, Tamás Nagy, Gyula Simig and Balázs Volk
Beilstein J. Org. Chem. 2022, 18, 653–659.
https://doi.org/10.3762/bjoc.18.66
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.19 g/mol |
| Exact Mass | 171.0895 Da |
| InChI |
InChI=1S/C8H13NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h2-6H2,1H3
|
| InChIKey |
LUBGFMZTGFXIIN-UHFFFAOYSA-N
|
| SMILES |
CCOC(=O)N1CCC(=O)CC1
|
| Number of Atoms | 25 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 4 |
| XLogP | -0.1 |