175712-02-4 (泊沙康唑主环,(3S,5R)-5-(2,4-Difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetra hydrofuran-3-ylmethyl 4-chlorobenzenesulfonate)

CAS号:
175712-02-4
中文名称:
泊沙康唑主环
英文名称:
(3S,5R)-5-(2,4-Difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetra hydrofuran-3-ylmethyl 4-chlorobenzenesulfonate
分子式:
C20H18ClF2N3O4S
分子量:
469.889429569244

泊沙康唑主环(175712-02-4)名称与标识符

名称

中文别名:
(3S-顺式)-4-氯苯磺酸[5-(2,4-二氟苯基)四氢-5-(1H-1,2,4-三唑-1-基甲基)-3-呋喃基]甲基酯;2-(2-氟代苯氧基)-3-硝基吡啶;5-(2,4-二氟苯基)-5-(1,2,4-三唑-1-甲基)四氢呋喃-3-甲基]对氯苯磺酸酯;泊沙对氯主环;泊沙康唑氯代;泊沙康唑中间体9;(5-(2,4-二氟苯基)-5-(1,2,4-三唑-1-甲基)四氢呋喃-3-甲基]对氯苯磺酸酯);泊沙康唑主环(对氯保护基);泊沙康唑主环(含对氯苯磺酸保护基);5-(2,4-二氟苯基)-5-(1,2,4-三唑-1-甲基)四氢呋喃-3-甲基]对氯苯磺酸酯,泊沙康唑中间体;((3S,5R)-5-((1H-1,2,4-三唑-1-基)甲基)-5-(2,4-二氟苯基)四氢呋喃-3-基)4-氯苯磺酸甲酯;[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetra hydrofuran-3-yl]methyl 4-chlorobenzenesulfonate;泊沙康唑杂质14;5-(2,4-二氟苯基)-5-(1,2,4-三唑-1-甲基)四氢呋喃-3-甲基]对氯苯磺酸酯,(泊沙康唑中间体);
英文别名:
[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetra hydrofuran-3-yl]methyl 4-chlorobenzenesulfonate;2,5-Anhyd<wbr>;D-threo-p<wbr>;4-Chloro-benzenesulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylmethyl-tetrahydro-furan-3-ylmethyl ester;(3S-cis)-4-Chlorobenzenesulfonic acid [5-(2,4-difluorophenyl)tetrahydro-5-(1H-1,2,4-triazol-1-ylmethyl)-3-furanyl]methyl ester;2,5-Anhydro-4-[[[(4-chlorophenyl)sulfonyl]oxy]methyl]-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol;EOS-60774;[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-chlorobenzenesulfonate;((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl4-chlorobenzenesulfonate;[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methyl 4-chlorobenzenesulfonate 4-Chloro-benzenesulfonic acid;((3S,5R)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-chlorobenzenesulfonate;C20H18ClF2N3O4S;9255AH;D-threo-Pentitol, 2,5-anhydro-4-[[[(4-chlorophenyl)sulfonyl]oxy]methyl]-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-;[(3S,5R)-5-(2,4-Difluoro-phenyl)-5-[1,2,4]triazol-1-ylmethyl-tetrahydro-furan-3-ylmethyl 4-chlorobenzenesulfonate;[(3S,5R)-5-(2,4-difluorophenyl)-;AMY14830;SB34290;[(3S,5R)-5-;posaconazole impurity 14;

标识符

MDL:
MFCD28009665
InChIKey:
WUPORSBDFSRGHD-XOBRGWDASA-N
Inchi:
1S/C20H18ClF2N3O4S/c21-15-1-4-17(5-2-15)31(27,28)30-10-14-8-20(29-9-14,11-26-13-24-12-25-26)18-6-3-16(22)7-19(18)23/h1-7,12-14H,8-11H2/t14-,20-/m0/s1
SMILES:
ClC1C=CC(=CC=1)S(=O)(=O)OC[C@@H]1CO[C@](C2C=CC(=CC=2F)F)(CN2C=NC=N2)C1

泊沙康唑主环(175712-02-4)物化性质

实验特性

  • PSA : 83.31
  • 沸点 : 612.9°C at 760 mmHg
  • 溶解度 : Insuluble (1.5E-4 g/L) (25 ºC),
  • 密度 : 1.49±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 469.06764
  • 氢键供体数量 : 0
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 7
  • 重原子数量 : 31
  • 复杂度 : 707
  • 疏水参数计算参考值(XlogP) : 3.3
  • 拓扑分子极性表面积 : 91.7

泊沙康唑主环(175712-02-4)安全信息

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