Analyte Name

Lurasidone-d8 Sulfoxide

Molecular Formula

C28 D8 H28 N4 O3 S

Molecular Weight

516.725

Accurate Mass

516.301

SMILES

[2H]C1([2H])N(C[C@@H]2CCCC[C@H]2CN3C(=O)[C@@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)C([2H])([2H])C([2H])([2H])N(C6=NS(=O)c7ccccc67)C1([2H])[2H]

InChI

InChI=1S/C28H36N4O3S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)36(35)29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-,36?/m0/s1/i11D2,12D2,13D2,14D2

IUPAC

(1R,2S,6R,7S)-4-[[(1R,2R)-2-[[2,2,3,3,5,5,6,6-octadeuterio-4-(1-oxo-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat