Analyte Name

4-Desfluoro-4-[(6bR,10aS)-2,3,6b,7,8,9,10,10a-Octahydro-3-methyl-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline]-lumateperone

CAS Number

2649799-31-3

Molecular Formula

C38H46N6O

Molecular Weight

602.83

Accurate Mass

602.37

SMILES

CN1C2=C3C([C@@]4([H])[C@@](CCN(C5=CC=C(C=C5)C(CCCN6C[C@@]7([H])C8=CC=CC9=C8N(CCN9C)[C@@]7([H])CC6)=O)C4)([H])N3CC1)=CC=C2

InChI

InChI=1S/C38H46N6O/c1-39-20-22-43-32-15-18-41(24-30(32)28-6-3-8-34(39)37(28)43)17-5-10-36(45)26-11-13-27(14-12-26)42-19-16-33-31(25-42)29-7-4-9-35-38(29)44(33)23-21-40(35)2/h3-4,6-9,11-14,30-33H,5,10,15-25H2,1-2H3/t30-,31-,32-,33-/m0/s1

IUPAC

4-((6bR,10aS)-3-Methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)-1-(4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)phenyl)butan-1-one

Country of Origin

CANADA

Product Format

Neat