Dehydroxy-(2-methyl-4-(2-methylbenzamido)benzoate) Tolvaptan

CAS: 1580889-36-6

Ref. TR-D230653

Informação sobre produto

• Nome: Dehydroxy-(2-methyl-4-(2-methylbenzamido)benzoate) Tolvaptan
• Sinónimos: [7-chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-2,3-dihydro-1-benzazepin-5-yl] 2-methyl-4-[(2-methylbenzoyl)amino]benzoate
• CAS: 1580889-36-6

Descrição

Applications Dehydroxy-(2-methyl-4-(2-methylbenzamido)benzoate) Tolvaptan is the impurity of the drug Tolvaptan (T536650), which is a selective, competitive arginine vasopressin V2 receptor antagonist used to treat hyponatremia (low blood sodium levels) associated with congestive heart failure, cirrhosis, and the syndrome of inappropriate antidiuretic hormone (SIADH).
References Paterna, S., et al.: Eur. J. Heart Fail, 2, 305 (2000); Udelson, J., et al.: Circulation, 104, 2417 (2001); Goldsmith, S., et al.: J. Am. Coll Cardiol., 46, 1785 (2005); Schrier, R., et al.: N. Engl. J. Med., 355, 2099 (2006);

• Marca: TRC

Propriedades químicas

• Peso molecular: 698.205
• Fórmula: C₄₂H₃₆ClN₃O₅
• Cor/forma: Neat
• InChI: InChI=1S/C42H36ClN3O5/c1-25-10-5-7-12-32(25)39(47)44-30-16-18-34(27(3)22-30)41(49)46-21-9-14-38(36-24-29(43)15-20-37(36)46)51-42(50)35-19-17-31(23-28(35)4)45-40(48)33-13-8-6-11-26(33)2/h5-8,10-20,22-24H,9,21H2,1-4H3,(H,44,47)(H,45,48)
• Chave InChI: InChIKey=IYRJYSVCAMDVEL-UHFFFAOYSA-N
• SMILES: Cc1ccccc1C(=O)Nc1ccc(C(=O)OC2=CCCN(C(=O)c3ccc(NC(=O)c4ccccc4C)cc3C)c3ccc(Cl)cc32)c(C)c1