Nintedanib Demethyl-O-glucuronic Acid-d3

CAS: 1352789-50-4

Ref. TR-N478297

Informação sobre produto

• Nome: Nintedanib Demethyl-O-glucuronic Acid-d3
• Marca: TRC

Descrição

Applications Nintedanib Demethyl-O-glucuronic Acid-d3 is an isotopic analog of Nintedanib Demethyl-O-glucuronic Acid (N478295), a metabolite of the drug Nintedanib (N478290).
References Sun, L., et al.: J. Med. Chem., 41, 2588 (1998); Xie, H., et al.: J. Med. Chem., 50, 4898 (2007); Hilberg, F., et al.: Cancer Res., 68, 4774 (2008); Roth, G., et al.: J. Med. Chem., 58, 1053 (2015)

Propriedades químicas

• Peso molecular: 704.74
• Fórmula: C₃₆H₃₆D₃N₅O₁₀
• Cor/forma: Neat
• InChI: InChI=1S/C36H39N5O10/c1-39-14-16-41(17-15-39)19-26(42)40(2)23-11-9-22(10-12-23)37-28(20-6-4-3-5-7-20)27-24-13-8-21(18-25(24)38-33(27)46)35(49)51-36-31(45)29(43)30(44)32(50-36)34(47)48/h3-13,18,29-32,36,38,43-46H,14-17,19H2,1-2H3,(H,47,48)/t29-,30-,31+,32-,36-/m0/s1/i1D3
• Chave InChI: InChIKey=GZWDDOFYQDCRIQ-WQJDREQMSA-N
• SMILES: [2H]C([2H])([2H])N1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4cc(C(=O)O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)ccc43)c3ccccc3)cc2)CC1