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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>11</sub>N<sub>3</sub>O

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Extracted from

Scheme 4

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₁₁N₃O
Molecular Weight	177.20 g/mol
Exact Mass	177.0902 Da
InChI	InChI=1S/C9H11N3O/c1-11-6-7-12(10-13)9-5-3-2-4-8(9)11/h2-5H,6-7H2,1H3
InChIKey	GJPWNRQMPDKMAL-UHFFFAOYSA-N
SMILES	CN1CCN(C2=C1C=CC=C2)N=O
Number of Atoms	24
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	10
XLogP	1.1

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