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
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