93107-11-0 (1-癸基-2,3-二甲基咪唑甲磺酸盐,Desfluorociprofloxacin)

CAS号:
93107-11-0
中文名称:
1-癸基-2,3-二甲基咪唑甲磺酸盐
英文名称:
Desfluorociprofloxacin
分子式:
C17H19N3O3
分子量:
313.351063966751

1-癸基-2,3-二甲基咪唑甲磺酸盐(93107-11-0)名称与标识符

名称

中文别名:
环丙沙星杂质B;环丙沙星杂质B HCl;去fluroenrofloxacin盐酸;盐酸环丙沙星杂质B;盐酸环丙沙星杂质B(EP) 标准品;1-癸基-2,3-二甲基咪唑甲磺酸盐;
英文别名:
3-Quinolinecarboxylic acid,1-cyclopropyl-1,4-dihydro-4-oxo-7-(1-piperazinyl)-;1-CYCLOPROPYL-4-OXO-7-(PIPERAZIN-1-YL)-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID HYDROCHLORIDE;Desfluorociprofloxacin;1-Cyclopropyl-7-piperazinyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid;Ciprofloxacin EP Impurity B;CIPROFLOXACIN IMPURITY B;Ciprofloxacin Impurity B HCl;Desfluroenrofloxacin Hydrochloride;1-Cyclopropyl-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid (ACI);1-Cyclopropyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid;IWQJEAWVHIBCDP-UHFFFAOYSA-N;CIPROFLOXACIN IMPURITY B [EP IMPURITY];1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;UNII-X0FPD89RI4;1-cyclopropyl-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid;1-cyclopropyl-1,4-dihydro-4-oxo-7-(piperazin-1-yl)-quinoline-3-carboxylic acid;Ciprofloxacin impurity B [EP];1-Cyclopropyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic Acid (Desfluoro Compound);93107-11-0;1-cyclopropyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid;SQ-4004;SCHEMBL5546381;DB-407703;1-Cyclopropyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic Acid; Ciprofloxacin Hydrochloride Imp. B (EP); Desfluoro Ciprofloxacin;1-cyclopropyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylicacid;X0FPD89RI4;CHEMBL228398;3-Quinolinecarboxylic acid, 1-cyclopropyl-1,4-dihydro-4-oxo-7-(1-piperazinyl)-;

标识符

MDL:
MFCD21363593
InChIKey:
IWQJEAWVHIBCDP-UHFFFAOYSA-N
Inchi:
1S/C17H19N3O3/c21-16-13-4-3-12(19-7-5-18-6-8-19)9-15(13)20(11-1-2-11)10-14(16)17(22)23/h3-4,9-11,18H,1-2,5-8H2,(H,22,23)
SMILES:
O=C(C1C(=O)C2C(=CC(N3CCNCC3)=CC=2)N(C2CC2)C=1)O

1-癸基-2,3-二甲基咪唑甲磺酸盐(93107-11-0)物化性质

实验特性

  • LogP : 1.83800
  • PSA : 74.57000

计算特性

  • 精确分子量 : 313.14300
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 3
  • 同位素质量 : 313.143
  • 重原子数量 : 23
  • 复杂度 : 537
  • 同位素原子数量 : 0
  • 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) : _1.2
  • 拓扑分子极性表面积 : 72.9A^2

1-癸基-2,3-二甲基咪唑甲磺酸盐(93107-11-0)合成路线

合成路线:1 步
反应条件:
参考文献:
Identification, biological activity, and mechanism of the anti-ischemic quinolone analog
Park, Chan-Hee; Lee, Jongwon; Jung, Hwi Young; Kim, Min Ji; Lim, Sun Ha; et al, Bioorganic & Medicinal Chemistry, 2007, 15(20), 6517-6526
合成路线:1 步
参考文献:
Preparation of piperazinylquinolone derivatives
, Japan, , ,
合成路线:1 步
参考文献:
New 8-(trifluoromethyl)-substituted quinolones. The benefits of the 8-fluoro group with reduced phototoxic risk
Sanchez, J. P.; Bridges, A. J.; Bucsh, R.; Domagala, J. M.; Gogliotti, R. D.; et al, Journal of Medicinal Chemistry, 1992, 35(2), 361-7
合成路线:1 步
参考文献:
Bactericidal agent from quinolinonecarboxylic acid
, Federal Republic of Germany, , ,
合成路线:1 步
参考文献:
Quinolonecarboxylic acid derivatives and their use as bactericidal agents
, Federal Republic of Germany, , ,
合成路线:1 步
参考文献:
Quinolonecarboxylic acids and their antibacterial use
, Federal Republic of Germany, , ,
合成路线:1 步
参考文献:
Quinolinonecarboxylic acids and antibacterial agents containing them
, Federal Republic of Germany, , ,
合成路线:1 步
参考文献:
Microbicidal composition based on quinolonecarboxylic acid
, Federal Republic of Germany, , ,

1-癸基-2,3-二甲基咪唑甲磺酸盐(93107-11-0)上下游

1-癸基-2,3-二甲基咪唑甲磺酸盐(93107-11-0)参考资料

Reaxys RN:
PubChem CID: