721970-37-2 (盐酸莫西沙星杂质F,N-Methyl Moxifloxacin)

CAS号:
721970-37-2
中文名称:
盐酸莫西沙星杂质F
英文名称:
N-Methyl Moxifloxacin
分子式:
C22H27ClFN3O4
分子量:
451.91888833046

盐酸莫西沙星杂质F(721970-37-2)名称与标识符

名称

中文别名:
盐酸莫西沙星杂质F;莫西沙星杂质;
英文别名:
N-methyl moxifloxacin hydrochloride;1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-1-methyloctahydro-6H-pyrrolo[3,4-b]pyridine-6-yl]-4-oxo-3-quinolinecarboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-((4aS,7aS)-1-2-methyloctahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;N-METHYL MOXIFLOXACIN HCL;7-[(4As,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-;N-Methyl Moxifloxacin;CS-0165606;1-Methylmoxifloxacin;MOXIFLOXACIN HYDROCHLORIDE IMPURITY F [EP IMPURITY];L6A9I06SUK;DTXSID501101197;Moxifloxacin hydrochloride impurity F [EP];3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-1-methyl-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-;1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-1-methyl-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid;721970-37-2;1-Cyclopropyl-6-fluoro-8-methoxy-7-((4aS,7aS)-1-methylhexahydro-1H-pyrrolo(3,4-b)pyridin-6(2H)-yl)-4-oxo-3-quinolinecarboxylic acid;SCHEMBL14749181;UNII-L6A9I06SUK;2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride (Moxifloxacin Impurity);

标识符

MDL:
MFCD30343889
InChIKey:
SOXNUCVGASNEEU-XHXSRVRCSA-N
Inchi:
1S/C22H26FN3O4.ClH/c1-24-7-3-4-12-9-25(11-17(12)24)19-16(23)8-14-18(21(19)30-2)26(13-5-6-13)10-15(20(14)27)22(28)29;/h8,10,12-13,17H,3-7,9,11H2,1-2H3,(H,28,29);1H/t12-,17-;/m0./s1
SMILES:
Cl.FC1=CC2C(C(C(=O)O)=CN(C=2C(=C1N1C[C@H]2[C@@H](CCCN2C)C1)OC)C1CC1)=O

盐酸莫西沙星杂质F(721970-37-2)物化性质

计算特性

  • 精确分子量 : 415.19073448g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 4
  • 同位素质量 : 415.19073448g/mol
  • 重原子数量 : 31
  • 复杂度 : 757
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 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) : 1.1
  • 拓扑分子极性表面积 : 73.3

盐酸莫西沙星杂质F(721970-37-2)参考资料

Reaxys RN:
PubChem CID: