143693-57-6 ((4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylicacid, 8-fluoro-5-[2-(fluoro-18F)ethyl]-5,6-dihydro-6-oxo-, ethyl ester (9CI))

CAS号:
143693-57-6
英文名称:
4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylicacid, 8-fluoro-5-[2-(fluoro-18F)ethyl]-5,6-dihydro-6-oxo-, ethyl ester (9CI)
分子式:
C16H15F2N3O3
分子量:
334.307945489883

4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylicacid, 8-fluoro-5-[2-(fluoro-18F)ethyl]-5,6-dihydro-6-oxo-, ethyl ester (9CI)(143693-57-6)名称与标识符

名称

英文别名:
4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylicacid, 8-fluoro-5-[2-(fluoro-18F)ethyl]-5,6-dihydro-6-oxo-, ethyl ester (9CI);4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylicacid, 8-fluoro-5-[2-(fluoro-18F)ethyl]-5,6-di...;ethyl 5-(2-fluoranylethyl)-8-fluoro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;(18F)Fluoroethylflumazenil;4H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-fluoro-5-((2-fluoro-18F)ethyl)-5,6-dihydro-6-oxo-, ethyl ester;5-(2'-(18F)Fluoroethyl)flumazenil;5-(2'-Fluoroethyl)flumazenil;ethyl 8-fluoro-5-[2-(~18~F)fluoroethyl]-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethyl 8-fluoro-5-(2-fluoroethyl)-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;Fluoroethylflumazenil F-18;143693-57-6;UNII-3N422P20J8;[18F]fluoroethylflumazenil;DTXSID80162498;Q27257718;ethyl 5-(2-(18F)fluoranylethyl)-8-fluoro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;GTPL4368;((18)F)FLUOROETHYLFLUMAZENIL;SCHEMBL11940819;4H-IMIDAZO(1,5-A)(1,4)BENZODIAZEPINE-3-CARBOXYLIC ACID, 8-FLUORO-5-(2-(FLUORO-18F)ETHYL)-5,6-DIHYDRO-6-OXO-, ETHYL ESTER;[18F]fluoroethylflumazenil (PET ligand);3N422P20J8;

标识符

InChIKey:
NRBIGDVWCXXFLI-SJPDSGJFSA-N
Inchi:
1S/C16H15F2N3O3/c1-2-24-16(23)14-13-8-20(6-5-17)15(22)11-7-10(18)3-4-12(11)21(13)9-19-14/h3-4,7,9H,2,5-6,8H2,1H3/i17-1
SMILES:
[18F]CCN1C(C2C=C(C=CC=2N2C=NC(C(=O)OCC)=C2C1)F)=O

4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylicacid, 8-fluoro-5-[2-(fluoro-18F)ethyl]-5,6-dihydro-6-oxo-, ethyl ester (9CI)(143693-57-6)物化性质

实验特性

  • 折射率 : 1.611
  • 密度 : 1.41

计算特性

  • 精确分子量 : 334.110682
  • 氢键供体数量 : 0
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 5
  • 同位素质量 : 334.110682
  • 重原子数量 : 24
  • 复杂度 : 493
  • 同位素原子数量 : 1
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.3
  • 拓扑分子极性表面积 : 64.4