Analyte Name

Dehydroaripiprazole-13C4

Molecular Formula

[13C]4C19H25Cl2N3O2

Molecular Weight

450.34

Accurate Mass

449.1458

SMILES

ClC1=C(C=CC=C1Cl)N2[13CH2][13CH2]N([13CH2][13CH2]2)CCCCOC3=CC=C4C(NC(C=C4)=O)=C3

InChI

InChI=1S/C23H25Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-9,16H,1-2,10-15H2,(H,26,29)/i11+1,12+1,13+1,14+1

IUPAC

7-[4-[4-(2,3-Dichlorophenyl)-(2,3,5,6-13C_4)1,4-diazinan-1-yl]butoxy]-1H-quinolin-2-one

Unlabelled CAS Number

129722-25-4

SIL Type

Carbon

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat