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

Información del producto

• Nombre: 1,2-Bis[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethane-d16
• Sinónimos: 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
• Marca: TRC
• Descripción: 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)

Propiedades químicas

• Peso molecular: 721.045
• Fórmula: C₄₀D₁₆H₂₈N₆O₂S₂
• Color/Forma: Neat
• InChI: 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
• Clave InChI: 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]