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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>9</sub>H<sub>9</sub>N<sub>2</sub>]<sup>+</sup>

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Extracted from

Scheme 4

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	[C₉H₉N₂]⁺
Molecular Weight	145.18 g/mol
Exact Mass	145.0766 Da
InChI	InChI=1S/C9H9N2/c1-11-7-6-10-8-4-2-3-5-9(8)11/h2-7H,1H3/q+1
InChIKey	ZBFXULMODPLXMK-UHFFFAOYSA-N
SMILES	C[N+]1=C2C=CC=CC2=NC=C1
Number of Atoms	20
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	10
XLogP	1.3

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