4,4'-Methyl-methylene Trazodone Dimer-d12

Analyte Name

4,4'-Methyl-methylene Trazodone Dimer-d12

Molecular Formula

C40 D12 H34 Cl2 N10 O2

Molecular Weight

781.839

Accurate Mass

780.394

SMILES

[2H]C([2H])(N1CCN(CC1)c2cccc(C(C)c3cccc(N4CCN(CC4)C([2H])([2H])C([2H])([2H])C([2H])([2H])N5N=C6C=CC=CN6C5=O)c3Cl)c2Cl)C([2H])([2H])C([2H])([2H])N7N=C8C=CC=CN8C7=O

InChI

InChI=1S/C40H46Cl2N10O2/c1-30(31-10-6-12-33(37(31)41)47-26-22-45(23-27-47)16-8-20-51-39(53)49-18-4-2-14-35(49)43-51)32-11-7-13-34(38(32)42)48-28-24-46(25-29-48)17-9-21-52-40(54)50-19-5-3-15-36(50)44-52/h2-7,10-15,18-19,30H,8-9,16-17,20-29H2,1H3/i8D2,9D2,16D2,17D2,20D2,21D2

IUPAC

2-[3-[4-[2-chloro-3-[1-[2-chloro-3-[4-[1,1,2,2,3,3-hexadeuterio-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]ethyl]phenyl]piperazin-1-yl]-1,1,2,2,3,3-hexadeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat