格列本脲结构式

中文名称:格列本脲
英文名称:Glibenclamide
CAS No.:10238-21-8
分子式:C23H28ClN3O5S 分子量:494.0035
格列本脲 数据
Mol:
0  0  0  0  0  0
   10.0923   13.1347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2369   12.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5966   11.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5966   10.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9563   12.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3159   11.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6756   12.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0352   11.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0352   10.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6756    9.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3159   10.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
M  END                                
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格列本脲 Smile 编码:
COC1C=CC(Cl)=CC=1C(NCCC1C=CC(S(NC(NC2CCCCC2)=O)(=O)=O)=CC=1)=O
格列本脲 InChi 编码:
1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)
格列本脲 InChiKey 编码:
ZNNLBTZKUZBEKO-UHFFFAOYSA-N