2458812-61-6 (托伐普坦杂质60,Benzamide, N-[4-[(7-chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methyl-4-[(2-methylbenzoyl)amino]-)

CAS号:
2458812-61-6
中文名称:
托伐普坦杂质60
英文名称:
Benzamide, N-[4-[(7-chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methyl-4-[(2-methylbenzoyl)amino]-
分子式:
C34H30ClN3O4
分子量:
580.072707653046

托伐普坦杂质60(2458812-61-6)名称与标识符

名称

英文别名:
Benzamide, N-[4-[(7-chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methyl-4-[(2-methylbenzoyl)amino]-;

标识符

InChIKey:
ZSMUGXYGHFRYAQ-UHFFFAOYSA-N
Inchi:
1S/C34H30ClN3O4/c1-20-7-4-5-8-26(20)32(40)36-24-11-13-27(21(2)17-24)33(41)37-25-12-14-28(22(3)18-25)34(42)38-16-6-9-31(39)29-19-23(35)10-15-30(29)38/h4-5,7-8,10-15,17-19H,6,9,16H2,1-3H3,(H,36,40)(H,37,41)
SMILES:
C(NC1=CC=C(C(N2C3=CC=C(Cl)C=C3C(=O)CCC2)=O)C(C)=C1)(=O)C1=CC=C(NC(=O)C2=CC=CC=C2C)C=C1C

托伐普坦杂质60(2458812-61-6)物化性质

实验特性

  • 沸点 : 677.2±55.0 °C(Predicted)
  • 酸度系数(pKa) : 12.79±0.70(Predicted)
  • 密度 : 1.327±0.06 g/cm3(Predicted)

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