Analyte Name

N-Desmethyl-N-(1-(4-fluorophenyl)butan-1-one) Lumateperone

Molecular Formula

C33H35F2N3O2

Molecular Weight

543.66

Accurate Mass

543.26

SMILES

O=C(C1=CC=C(F)C=C1)CCCN2CCN3C4=C2C=CC=C4[C@@]5([H])[C@]3([H])CCN(CCCC(C6=CC=C(F)C=C6)=O)C5

InChI

InChI=1S/C33H35F2N3O2/c34-25-12-8-23(9-13-25)31(39)6-2-17-36-19-16-29-28(22-36)27-4-1-5-30-33(27)38(29)21-20-37(30)18-3-7-32(40)24-10-14-26(35)15-11-24/h1,4-5,8-15,28-29H,2-3,6-7,16-22H2/t28-,29-/m0/s1

IUPAC

4,4'-((6bR,10aS)-1,2,6b,9,10,10a-hexahydro-3H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-3,8(7H)-diyl)bis(1-(4-fluorophenyl)butan-1-one)

Country of Origin

CANADA

Product Format

Neat