Analyte Name

N-Nitroso-cariprazine

Molecular Formula

C21H31Cl2N5O2

Molecular Weight

456.41

Accurate Mass

455.19

SMILES

CN(C)C(N(N=O)[C@@H]1CC[C@H](CC1)CCN2CCN(CC2)C3=CC=CC(Cl)=C3Cl)=O

InChI

InChI=1S/C21H31Cl2N5O2/c1-25(2)21(29)28(24-30)17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3/t16-,17-

IUPAC

1-((1r,4r)-4-(2-(4-(2,3-dichlorophenyl)piperazin-1-yl)ethyl)cyclohexyl)-3,3-dimethyl-1-nitrosourea

Country of Origin

CANADA

Product Format

Neat