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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

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Chemical structure C<sub>8</sub>H<sub>8</sub>N<sub>2</sub>O

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Extracted from

Scheme 1

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₈H₈N₂O
Molecular Weight	148.16 g/mol
Exact Mass	148.0637 Da
InChI	InChI=1S/C8H8N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-4,9H,5H2,(H,10,11)
InChIKey	HYTIPJFUWHYQON-UHFFFAOYSA-N
SMILES	C1=CC2=C(C=C1)NC(=O)CN2
Number of Atoms	19
Number of H-Bond Acceptors	3
Number of H-Bond Donors	2
Atoms in the Largest π-System	10
XLogP	0.3

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