Analyte Name

1-(3-Hydroxybutan-2-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one-D3

Molecular Formula

C22 D8 H19 N5 O3

Molecular Weight

417.531

Accurate Mass

417.262

SMILES

[2H]C([2H])([2H])C([2H])(O)C([2H])(N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(O)cc4)C([2H])([2H])[2H]

InChI

InChI=1S/C22H27N5O3/c1-16(17(2)28)27-22(30)26(15-23-27)20-5-3-18(4-6-20)24-11-13-25(14-12-24)19-7-9-21(29)10-8-19/h3-10,15-17,28-29H,11-14H2,1-2H3/i1D3,2D3,16D,17D

IUPAC

4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-(1,1,1,2,3,4,4,4-octadeuterio-3-hydroxybutan-2-yl)-1,2,4-triazol-3-one

Unlabelled CAS Number

125272-25-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat