Analyte Name

Avatrombopag Hydrochloride-d8

Molecular Formula

C29H26D8Cl2N6O3S2.HCl

Molecular Weight

694.16

Accurate Mass

692.18

SMILES

O=C(C1=CN=C(N2CCC(CC2)C(O)=O)C(Cl)=C1)NC3=NC(C4=CC(Cl)=CS4)=C(N5C([2H])([2H])C([2H])([2H])N(C6CCCCC6)C([2H])([2H])C5([2H])[2H])S3.[H]Cl

InChI

InChI=1S/C29H34Cl2N6O3S2.ClH/c30-20-15-23(41-17-20)24-27(37-12-10-35(11-13-37)21-4-2-1-3-5-21)42-29(33-24)34-26(38)19-14-22(31)25(32-16-19)36-8-6-18(7-9-36)28(39)40;/h14-18,21H,1-13H2,(H,39,40)(H,33,34,38);1H/i10D2,11D2,12D2,13D2;

IUPAC

1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexyl-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperidine-4-carboxylic acid;hydrochloride

Unlabelled CAS Number

2742364-65-2

SIL Type

Deuterium

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat