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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>5</sub>H<sub>11</sub>NO<sub>2</sub>

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Extracted from

Scheme 2 Scheme 3

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₅H₁₁NO₂
Molecular Weight	117.15 g/mol
Exact Mass	117.0790 Da
InChI	InChI=1S/C5H11NO2/c7-5(8)1-3-6-4-2-5/h6-8H,1-4H2
InChIKey	TUDHHJQPQZFEIH-UHFFFAOYSA-N
SMILES	C1CNCCC1(O)O
Number of Atoms	19
Number of H-Bond Acceptors	3
Number of H-Bond Donors	3
Atoms in the Largest π-System	0
XLogP	-0.9

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