米拉贝隆杂质 80结构式

米拉贝隆杂质 80
中文名称:米拉贝隆杂质 80
英文名称:Mirabegron Impurity 80
CAS No.:1884646-69-8
分子式:C21H24N2O3S 分子量:384.49
米拉贝隆杂质 80 数据
Mol:
    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3487   -1.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4522   -1.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5640   -1.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6090   -0.3142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3456   -1.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3167   -1.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3167   -3.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3393   -3.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2646   -2.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  9  5  1  0  0  0  0
  9 17  1  0  0  0  0
 10  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  2  0  0  0  0
 18 19  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27  8  1  0  0  0  0
 14 21  1  0     0  0
M  END                                
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米拉贝隆杂质 80 Smile 编码:
S=C(OC)/C=C\C(NC1=CC=C(C=C1)CCNCC(O)C1C=CC=CC=1)=O
米拉贝隆杂质 80 InChi 编码:
1S/C21H24N2O4/c1-27-21(26)12-11-20(25)23-18-9-7-16(8-10-18)13-14-22-15-19(24)17-5-3-2-4-6-17/h2-12,19,22,24H,13-15H2,1H3,(H,23,25)/b12-11-
米拉贝隆杂质 80 InChiKey 编码:
WIIAMEZJVZSMQT-QXMHVHEDSA-N