Analyte Name

Cariprazine Impurity-D16

Molecular Formula

C37 D16 H36 Cl4 N6 O

Molecular Weight

754.759

Accurate Mass

752.396

SMILES

[2H]C1([2H])N(CC[C@@H]2CC[C@H](CC2)NC(=O)N[C@@H]3CC[C@@H](CCN4C([2H])([2H])C([2H])([2H])N(c5cccc(Cl)c5Cl)C([2H])([2H])C4([2H])[2H])CC3)C([2H])([2H])C([2H])([2H])N(c6cccc(Cl)c6Cl)C1([2H])[2H]

InChI

InChI=1S/C37H52Cl4N6O/c38-31-3-1-5-33(35(31)40)46-23-19-44(20-24-46)17-15-27-7-11-29(12-8-27)42-37(48)43-30-13-9-28(10-14-30)16-18-45-21-25-47(26-22-45)34-6-2-4-32(39)36(34)41/h1-6,27-30H,7-26H2,(H2,42,43,48)/t27-,28-,29-,30-/i19D2,20D2,21D2,22D2,23D2,24D2,25D2,26D2

IUPAC

1,3-bis[4-[2-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea

Unlabelled CAS Number

2450971-05-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat