Analyte Name

Sodium 3-(4-(4-(4-(4-Methoxyphenyl)piperazin-1-yl)phenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)butan-2-yl Sulfate-D8

Molecular Formula

C23 D8 H20 N5 Na O6 S

Molecular Weight

533.602

Accurate Mass

533.216

SMILES

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

InChI

InChI=1S/C23H29N5O6S.Na/c1-17(18(2)34-35(30,31)32)28-23(29)27(16-24-28)21-6-4-19(5-7-21)25-12-14-26(15-13-25)20-8-10-22(33-3)11-9-20;/h4-11,16-18H,12-15H2,1-3H3,(H,30,31,32);/q;+1/p-1/i1D3,2D3,17D,18D;

IUPAC

[1,1,1,2,3,4,4,4-octadeuterio-3-[4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-5-oxo-1,2,4-triazol-1-yl]butan-2-yl]oxysulfonyloxysodium

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat