依托拉嗪盐酸盐结构式

中文名称:依托拉嗪盐酸盐
英文名称:Eltoprazine Dihydrochloride
CAS No.:143485-51-2
分子式:C12H16N2O2.2HCl 分子量:293.1895
依托拉嗪盐酸盐 数据
Mol:
    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1426    4.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1426    5.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750    2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.2750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
M  END                                
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依托拉嗪盐酸盐 Smile 编码:
O1CCOC2=CC=CC(=C12)N1CCNCC1.Cl.Cl
依托拉嗪盐酸盐 InChi 编码:
InChI=1S/C12H16N2O2.2ClH/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12;;/h1-3,13H,4-9H2;2*1H
依托拉嗪盐酸盐 InChiKey 编码:
UNRJDVNCYJTPOQ-UHFFFAOYSA-N