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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>7</sub>N<sub>3</sub>O<sub>2</sub>

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Extracted from

Scheme 1

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₈H₇N₃O₂
Molecular Weight	177.16 g/mol
Exact Mass	177.0538 Da
InChI	InChI=1S/C8H7N3O2/c12-8-5-11(10-13)7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,12)
InChIKey	ODRZHTKRWUWXFX-UHFFFAOYSA-N
SMILES	C1=CC2=C(C=C1)N(CC(=O)N2)N=O
Number of Atoms	20
Number of H-Bond Acceptors	3
Number of H-Bond Donors	1
Atoms in the Largest π-System	12
XLogP	-0.3

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