Analyte Name

rac cis-3-Hydroxy Apatinib-d4 Hydrochloride

Molecular Formula

C24 D4 H19 N5 O2 . H Cl

Molecular Weight

453.957

Accurate Mass

453.187

SMILES

Cl.[2H]c1cc(cc([2H])n1)C([2H])([2H])Nc2ncccc2C(=O)Nc3ccc(cc3)[C@]4(CC[C@@H](O)C4)C#N

InChI

InChI=1S/C24H23N5O2.ClH/c25-16-24(10-7-20(30)14-24)18-3-5-19(6-4-18)29-23(31)21-2-1-11-27-22(21)28-15-17-8-12-26-13-9-17;/h1-6,8-9,11-13,20,30H,7,10,14-15H2,(H,27,28)(H,29,31);1H/t20-,24+;/m1./s1/i12D,13D,15D2;

IUPAC

N-[4-[(1R,3R)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-[[dideuterio-(2,6-dideuteriopyridin-4-yl)methyl]amino]pyridine-3-carboxamide;hydrochloride

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat