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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>12</sub>H<sub>8</sub>F<sub>6</sub>N<sub>2</sub>O<sub>2</sub>

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Extracted from

Scheme 6

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₂H₈F₆N₂O₂
Molecular Weight	326.20 g/mol
Exact Mass	326.0490 Da
InChI	InChI=1S/C12H8F6N2O2/c13-11(14,15)9(21)19-5-6-20(10(22)12(16,17)18)8-4-2-1-3-7(8)19/h1-4H,5-6H2
InChIKey	IKTSDEICPNRVNV-UHFFFAOYSA-N
SMILES	C1=CC2=C(C=C1)N(CCN2C(=O)C(F)(F)F)C(=O)C(F)(F)F
Number of Atoms	30
Number of H-Bond Acceptors	4
Number of H-Bond Donors	0
Atoms in the Largest π-System	12
XLogP	1.4

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