Zolenzepine-d3 Dihydrochloride

Analyte Name

Zolenzepine-d3 Dihydrochloride

Molecular Formula

C19H21D3N6O2 • 2HCl

Molecular Weight

444.38

Accurate Mass

443.17

SMILES

O=C1C2=C(N(C3=CC=CC=C3N1)C(CN4CCN(CC4)C([2H])([2H])[2H])=O)C(C)=NN2C.Cl.Cl

InChI

InChI=1S/C19H24N6O2.2ClH/c1-13-17-18(23(3)21-13)19(27)20-14-6-4-5-7-15(14)25(17)16(26)12-24-10-8-22(2)9-11-24;;/h4-7H,8-12H2,1-3H3,(H,20,27);2*1H/i2D3;;

IUPAC

1,3-dimethyl-4-(2-(4-(methyl-d3)piperazin-1-yl)acetyl)-4,9-dihydrobenzo[b]pyrazolo[4,3-e][1,4]diazepin-10(1H)-one dihydrochloride

Unlabelled CAS Number

78208-14-7; Free Base: 78208-13-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat