2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenyl-4-[(2-N-methoxycarbonyl)acetamidrazono]morpholine-13C2,d2

CAS: 219821-37-1

Ref. TR-B657147

Informação sobre produto

• Nome: 2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenyl-4-[(2-N-methoxycarbonyl)acetamidrazono]morpholine-13C2,d2
• Sinónimos: methyl (E)-2-(1-amino-2-((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy-1,2-d2)-3-(4-fluorophenyl)morpholino)ethylidene-1,2-13C2)hydrazine-1-carboxylate
• CAS: 219821-37-1

Descrição

Applications Labelled Aprepitant derivative.
References Ballard, T., et al.: Eur. J. Pharmacol., 412, 255 (2001), Campos, D., et al.: J. Clin. Oncol., 19, 1759 (2001), Severini, C., et al.: Pharmacol. Rev., 54, 285 (2002)

• Marca: TRC

Propriedades químicas

• Peso molecular: 570.47
• Fórmula: C₂₂C₂H₂₃D₂F₇N₄O₄
• Cor/forma: Neat
• InChI: InChI=1S/C24H25F7N4O4/c1-13(15-9-16(23(26,27)28)11-17(10-15)24(29,30)31)39-21-20(14-3-5-18(25)6-4-14)35(7-8-38-21)12-19(32)33-34-22(36)37-2/h3-6,9-11,13,20-21H,7-8,12H2,1-2H3,(H2,32,33)(H,34,36)/t13?,20-,21+/m0/s1/i1D,12+1,13D,19+1
• Chave InChI: InChIKey=JMBSYJOVXPFTFD-WXVHAXCISA-N
• SMILES: [2H]C[C@@]([2H])(O[C@H]1OCCN([13CH2]/[13C](N)=N\NC(=O)OC)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1