1,2-Bis[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethane-d16

CAS: 1371638-05-9

Ref. TR-B419122

Produktinformation

• Name: 1,2-Bis[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethane-d16
• Synonyme: 6-[4-[2-[2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)ethoxy]ethoxy]ethyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]benzo[b][1,4]benzothiazepine
• Marke: TRC
• Beschreibung: Applications Isotope labelled 1,2-Bis[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethane is an impurity of Quetiapine (Q510000), an atypical antipsychotic agent used for the treatment of patients with schizophrenia, biopolar disorder and to treat major depressive disorder.References Kumar, K., et al.: Org. Chem. Indian. J., 8, 164 (2012)

Chemische Eigenschaften

• Molekulargewicht: 721.045
• Formel: C₄₀D₁₆H₂₈N₆O₂S₂
• Farbe/Form: Neat
• InChl: InChI=1S/C40H44N6O2S2/c1-5-13-35-31(9-1)39(41-33-11-3-7-15-37(33)49-35)45-21-17-43(18-22-45)25-27-47-29-30-48-28-26-44-19-23-46(24-20-44)40-32-10-2-6-14-36(32)50-38-16-8-4-12-34(38)42-40/h1-16H,17-30H2/i17D2,18D2,19D2,20D2,21D2,22D2,23D2,24D2
• InChI Key: InChIKey=YBVWRXGWAIZGDD-YCTFEWCQSA-N
• SMILES: [2H]C1([2H])N(CCOCCOCCN2C([2H])([2H])C([2H])([2H])N(C3=Nc4ccccc4Sc4ccccc43)C([2H])([2H])C2([2H])[2H])C([2H])([2H])C([2H])([2H])N(C2=Nc3ccccc3Sc3ccccc32)C1([2H])[2H]