Analyte Name

Prucalopride Succinate-13CD3

CAS Number

2732980-79-7

Molecular Formula

C21 ¹³C H29 D3 Cl N3 O7

Molecular Weight

489.97

Accurate Mass

489.22

SMILES

NC1=C2C(OCC2)=C(C=C1Cl)C(NC3CCN(CC3)CCCO[13C]([2H])([2H])[2H])=O.O=C(CCC(O)=O)O

InChI

InChI=1S/C18H26ClN3O3.C4H6O4/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14;5-3(6)1-2-4(7)8/h11-12H,2-10,20H2,1H3,(H,21,23);1-2H2,(H,5,6)(H,7,8)/i1+1D3;

IUPAC

4-amino-5-chloro-N-(1-(3-(methoxy-13C-d3)propyl)piperidin-4-yl)-2,3-dihydrobenzofuran-7-carboxamide succinate

Unlabelled CAS Number

179474-85-2

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat