N1,N4-Bis[2-(phenylthio)phenyl]-1,4-piperazine-d8-dicarboxamide

CAS: 1126432-68-5

Ref. TR-B522637

Product Information

• Name: N1,N4-Bis[2-(phenylthio)phenyl]-1,4-piperazine-d8-dicarboxamide
• Synonyms: N1,N4-Bis(2-(phenylthio)phenyl)piperazine-d8-1,4-dicarboxamide
• Brand: TRC
• Description: Applications N1,N4-Bis[2-(phenylthio)phenyl]-1,4-piperazine-d8-dicarboxamide is the labeled analog of N1,N4-Bis[2-(phenylthio)phenyl]-1,4-piperazinedicarboxamide (B522635), an impurity of Quetiapine (Q510000), a benzothiazepine with mixed serotonin and dopamine receptor antagonistic properties; used as an antipsychotic.References Stolarczyk, E.U., et. al.: Pharm. Develp. Tech., 14, 27 (2009); Wetzel, H., et al.: Psychopharmacology, 119, 231 (1995)

Chemical properties

• Molecular weight: 410.452
• Formula: C₃₀H₂₀D₈N₄O₂S₂
• Color/Form: Neat
• InChI: InChI=1S/C30H28N4O2S2/c35-29(31-25-15-7-9-17-27(25)37-23-11-3-1-4-12-23)33-19-21-34(22-20-33)30(36)32-26-16-8-10-18-28(26)38-24-13-5-2-6-14-24/h1-18H,19-22H2,(H,31,35)(H,32,36)/i19D2,20D2,21D2,22D2
• InChI key: InChIKey=WXURHACBFYSXBI-GFSQTRBGSA-N
• SMILES: C[C@H]1C[C@@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)CO