1219707-39-7 (Delpazolid,Delpazolid)

CAS号:
1219707-39-7
中文名称:
Delpazolid
英文名称:
Delpazolid
分子式:
C14H17FN4O3
分子量:
308.308186292648
简介:
Delpazolid 是一种新型的恶唑烷酮类抗生素,能抑制 MSSA 和 MRSA 的生长,对它们的 MIC90 值都为 2 μg/mL。

Delpazolid(1219707-39-7)名称与标识符

名称

英文别名:
(R)-3-(3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4(1H)-yl)phenyl)-5-(hydroxymethyl)oxazolidin-2-one;Delpazolid;(5R)-3-[4-(5,6-Dihydro-1-methyl-1,2,4-triazin-4(1H)-yl)-3-fluorophenyl]-5-(hydroxymethyl)-2-oxazolidinone;LCB 01-0371;43EP6XV33E;(5R)-3-[3-Fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4(1H)-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(3-Fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4(1H)-yl)phenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(3-Fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl)-5-(hydroxymethyl)oxazolidin-2-one;(5R)-3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-(hydroxymethyl)-1,3-o;DA-62755;DB13077;AKOS027323586;HY-100180;NS00072577;DELPAZOLID [INN];EX-A1715;CS-0018175;DELPAZOLID [WHO-DD];(5R)-3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;G14636;(5R)-3-(3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;LCB01-0371;AC-33876;CHEMBL1673408;(5R)-3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-(hydroxymethyl)oxazolidin-2-one;1219707-39-7;(5R)-3-[3-fluoro-4-(1-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(R)-3-[3-Fluoro-4-(1-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-4-yl)phenyl]-5(R)-(hydroxymethyl)oxazolidin-2-one;LCB-01,0371;EN300-20605525;Delpazolid (LCB01-0371);SCHEMBL11969210;GTPL10999;(5R)-3-(3-fluoro-4-(1-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-4-yl)phenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;delpazolidum;BCP25650;MS-24462;UNII-43EP6XV33E;Q27258646;LCB-01-0371;2-Oxazolidinone, 3-(4-(5,6-dihydro-1-methyl-1,2,4-triazin-4(1H)-yl)-3-fluorophenyl)-5-(hydroxymethyl)-, (5R)-;(R)-3-(3-Fluoro-4-(1-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-4-yl)phenyl)-5(R)-(hydroxymethyl)oxazolidin-2-one;LCB-010371;UYB70739;

标识符

MDL:
MFCD29918770
InChIKey:
QLUWQAFDTNAYPN-LLVKDONJSA-N
Inchi:
1S/C14H17FN4O3/c1-17-4-5-18(9-16-17)13-3-2-10(6-12(13)15)19-7-11(8-20)22-14(19)21/h2-3,6,9,11,20H,4-5,7-8H2,1H3/t11-/m1/s1
SMILES:
FC1C=C(C=CC=1N1C=NN(C)CC1)N1C(=O)O[C@@H](CO)C1

Delpazolid(1219707-39-7)物化性质

实验特性

  • 溶解度 : 微溶 (2.6 g/L) (25 ºC),
  • 密度 : 1.44±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 308.12846858 g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 3
  • 同位素质量 : 308.12846858 g/mol
  • 重原子数量 : 22
  • 复杂度 : 450
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 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) : 0.6
  • 拓扑分子极性表面积 : 68.6
  • 分子量 : 308.31