4-(8-Chloro-5H-dibenzo[b,e][1,4]diazepin-11-yl)-1-piperazinecarboxylic Acid-d8 1,1-Dimethylethyl Ester

CAS: 936094-44-9

Ref. TR-C367082

Informação sobre produto

• Nome: 4-(8-Chloro-5H-dibenzo[b,e][1,4]diazepin-11-yl)-1-piperazinecarboxylic Acid-d8 1,1-Dimethylethyl Ester
• Sinónimos: tert-butyl 4-(3-chloro-11H-benzo[b][1,4]benzodiazepin-6-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate
• Marca: TRC

Descrição

Applications 4-(8-Chloro-5H-dibenzo[b,e][1,4]diazepin-11-yl)-1-piperazinecarboxylic Acid-d8 1,1-Dimethylethyl Ester is an isotope labelled intermediate in the synthesis of isotope labelled Clozapine (C587502), an antipsychotic.
References Stille, et al: Farnaco, Ed. Prat., 26, 603 (1971), Hane, J.M., et al.: Psychopharmacol. Bull., 24, 62 (1988)

Propriedades químicas

• Peso molecular: 420.962
• Fórmula: C₂₂D₈H₁₇ClN₄O₂
• Cor/forma: Neat
• InChI: InChI=1S/C22H25ClN4O2/c1-22(2,3)29-21(28)27-12-10-26(11-13-27)20-16-6-4-5-7-17(16)24-18-9-8-15(23)14-19(18)25-20/h4-9,14,24H,10-13H2,1-3H3/i10D2,11D2,12D2,13D2
• Chave InChI: InChIKey=MHIVLHDYDSAYCC-BGKXKQMNSA-N
• SMILES: [2H]C1([2H])N(C(=O)OC(C)(C)C)C([2H])([2H])C([2H])([2H])N(C2=Nc3cc(Cl)ccc3Nc3ccccc32)C1([2H])[2H]