Montelukast Acyl-b-D-glucuronide Acetic Acid Salt

CAS: 188717-17-1

Ref. TR-M568010

Informação sobre produto

• Nome: Montelukast Acyl-b-D-glucuronide Acetic Acid Salt
• Sinónimos: 1-[1-[[[(1R)-1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetate] ß-D-Glucopyranuronic Acid Acetic Acid Salt, Montelukast M1 Acetic acid Salt, 1-[1-[[[(1R)-1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetate] b-D-Glucopyranuronic Acid

Descrição

Applications A metabolite of Montelukast.
References Madan, A., et al.: Biochem. Pharmacol., 46, 2291 (1993), Blake, B.L., et al.: Xenobiotica, 25, 377 (1995), LaBelle, M., et al.: Bioorg. Med. Chem. Lett., 5, 283 (1995), Chiba, M., et al.: Drug Metab. Dispos., 24, 307 (1996),

• Marca: TRC

Propriedades químicas

• Peso molecular: 822.36
• Fórmula: C₄₃H₄₈ClNO₁₁S
• Cor/forma: Neat
• InChI: InChI=1S/C41H44ClNO9S.C2H4O2/c1-40(2,50)30-9-4-3-7-25(30)13-17-32(27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(42)21-31(26)43-29)53-23-41(18-19-41)22-33(44)51-39-36(47)34(45)35(46)37(52-39)38(48)49;1-2(3)4/h3-12,14-16,20-21,32,34-37,39,45-47,50H,13,17-19,22-23H2,1-2H3,(H,48,49);1H3,(H,3,4)/b15-10+;/t32-,34?,35+,36?,37+,39+;/m1./s1
• Chave InChI: InChIKey=JCHMFUWUBPZAGL-UVTFDLGESA-N
• SMILES: CC(=O)O.CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O[C@H]2O[C@H](C(=O)O)[C@@H](O)C(O)C2O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1