Analyte Name

2-[2-[4-(2,3-Dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-4-(4-pyridinylmethyl)-1(2H)-phthalazinone-D8

Molecular Formula

C28H21D8N5O2

Molecular Weight

475.61

Accurate Mass

475.28

SMILES

O=C1N(N=C(C2=C1C=CC=C2)CC3=CC=NC=C3)CC(N4C([2H])(C([2H])(N(C([2H])(C4([2H])[2H])[2H])C5=CC=CC(C)=C5C)[2H])[2H])=O

InChI

InChI=1S/C28H29N5O2/c1-20-6-5-9-26(21(20)2)31-14-16-32(17-15-31)27(34)19-33-28(35)24-8-4-3-7-23(24)25(30-33)18-22-10-12-29-13-11-22/h3-13H,14-19H2,1-2H3/i14D2,15D2,16D2,17D2

IUPAC

2-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl-2,2,3,3,5,5,6,6-d8)-2-oxoethyl)-4-(pyridin-4-ylmethyl)phthalazin-1(2H)-one

Unlabelled CAS Number

902499-79-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat