914361-45-8 ((Fosravuconazole L-lysine ethanolate)

CAS号:
914361-45-8
英文名称:
Fosravuconazole L-lysine ethanolate
分子式:
C31H40F2N7O8PS
分子量:
739.72697353363
简介:
Fosravuconazole L-lysine ethanolate (BMS-379224 L-lysine ethanolate),Ravuconazole 的前体,是一种具有口服活性的广谱抗真菌剂。Fosravuconazole L-lysine ethanolate 可用于念珠菌病,灰指甲病和寄生虫病的研究。

Fosravuconazole L-lysine ethanolate(914361-45-8)名称与标识符

名称

英文别名:
Fosravuconazole L-lysine ethanolate;[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxymethyl dihydrogen phosphate;(2S)-2,6-diaminohexanoic acid;ethanol;UNII-QC4G8XS0H0;F-RVCZ;L-lysine compound with (((2S,3R)-3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-yl)oxy)methyl dihydrogen phosphate and ethanol (1:1:1);((1R,2R)-2-(4-(4-Cyanophenyl)-2-thiazolyl)-1-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-ylmethyl)propoxy) methyl ester compound with lysine, ethanolate (1:1:1);FOSRAVUCONAZOLE L-LYSINE ETHANOLATE [JAN];G17711;AKOS040759550;({(2R,3R)-3-[4-(4-Cyanophenyl)thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-yl}oxy)methyl dihydrogen phosphate mono[(2S)-2,6-diaminohexanoic acid] monoethanolate;CS-0145609;D10762;Fosravuconazole L-lysine ethanolate (JAN);E-1224 L-lysine ethanolate;QC4G8XS0H0;Fosravuconazole (L-lysine ethanolate);Fosravuconazole L-lysine ethanolate [MI];EX-A8007A;HY-16779B;(S)-2,6-Diaminohexanoic acid (((2R,3R)-3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-yl)oxy)methyl dihydrogen phosphate and ethanol salt;L-lysine; ethyl alcohol; fosravuconazole;914361-45-8;(((2R,3R)-3-(4-(4-Cyanophenyl)thiazol-2-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-yl)oxy)methyl dihydrogen phosphate mono((2S)-2,6-diaminohexanoic acid) monoethanolate;FOSRAVUCONAZOLE L-LYSINE ETHANOLATE [WHO-DD];

标识符

InChIKey:
VOWYGLHOVNSCSA-GBTIKMTQSA-N
Inchi:
1S/C23H20F2N5O5PS.C6H14N2O2.C2H6O/c1-15(22-29-21(10-37-22)17-4-2-16(9-26)3-5-17)23(11-30-13-27-12-28-30,34-14-35-36(31,32)33)19-7-6-18(24)8-20(19)25;7-4-2-1-3-5(8)6(9)10;1-2-3/h2-8,10,12-13,15H,11,14H2,1H3,(H2,31,32,33);5H,1-4,7-8H2,(H,9,10);3H,2H2,1H3/t15-,23-;;/m0../s1
SMILES:
S1C=C(C2C=CC(C#N)=CC=2)N=C1[C@H](C)[C@](C1C=CC(=CC=1F)F)(CN1C=NC=N1)OCOP(=O)(O)O.OC(C(CCCCN)N)=O.OCC

Fosravuconazole L-lysine ethanolate(914361-45-8)物化性质

计算特性

  • 精确分子量 : 739.23647576 g/mol
  • 氢键供体数量 : 6
  • 氢键受体数量 : 17
  • 可旋转化学键数量 : 15
  • 同位素质量 : 739.23647576 g/mol
  • 重原子数量 : 50
  • 复杂度 : 967
  • 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 : 1
  • 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 : 3
  • 拓扑分子极性表面积 : 281
  • 分子量 : 739.7

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