Analyte Name

2'-[(2-(4-Methoxyphenyl)acetylamino)methyl]biphenyl-2-carboxylic acid (2-pyridin-3-yl-ethyl)amide-13CD3 Hydrochloride

Molecular Formula

C29 13C H27 D3 Cl N3 O3 . H Cl

Molecular Weight

520.05

Accurate Mass

519.22

SMILES

O=C(C1=C(C2=C(CNC(CC3=CC=C(C=C3)O[13C]([2H])([2H])[2H])=O)C=CC=C2)C=CC=C1)NCCC4=CC=CN=C4.Cl

InChI

InChI=1S/C30H29N3O3.ClH/c1-36-25-14-12-22(13-15-25)19-29(34)33-21-24-8-2-3-9-26(24)27-10-4-5-11-28(27)30(35)32-18-16-23-7-6-17-31-20-23;/h2-15,17,20H,16,18-19,21H2,1H3,(H,32,35)(H,33,34);1H/i1+1D3;

Unlabelled CAS Number

2108821-80-1; 498577-53-0

SIL Type

Carbon, Deuterium

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat