1217655-87-2 (帕罗西汀与化合物G(联苯),rac-trans-4-Defluoro-4-(4-fluorophenyl) Paroxetine Hydrochloride)

CAS号:
1217655-87-2
中文名称:
帕罗西汀与化合物G(联苯)
英文名称:
rac-trans-4-Defluoro-4-(4-fluorophenyl) Paroxetine Hydrochloride
分子式:
C25H25ClFNO3
分子量:
441.92230963707

帕罗西汀与化合物G(联苯)(1217655-87-2)名称与标识符

名称

中文别名:
1,2,4-三乙苯;帕罗西汀相关化合物 G;帕罗西汀相关物质G;帕罗西汀与化合物G(联苯);
英文别名:
rac-trans-4-Defluoro-4-(4-fluorophenyl) Paroxetine Hydrochloride;(3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4'-fluoro-4-biphen ylyl)piperidine hydrochloride (1:1);Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4'-fluoro(1,1'-biphenyl)-4-yl)-, hydrochloride (1:1), (3R,4S)-rel-;Paroxetine Related Compound G, rac-trans-4-Defluoro-4-(4-fluorophenyl) Paroxetine Hydrochloride; Paroxetine Related Compound G as Hydrochloride;trans-3-(Benzo(1,3)dioxol-5-yloxymethyl)-4-(4'-fluoro-biphenyl-4-yl)-piperidine HCl;UNII-G2N13OH0O2;(+/-)trans-3-((1,3-Benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl-4-phenyl)piperidine hydrochloride;(3SR,4RS)-3-((Benzodioxol-5-yloxy)methyl)-4-(4'-fluorobiphenyl-4-yl)piperidine hydrochloride;(+/-)trans-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4''-fluorophenyl-4'-phenyl)piperidine Hydrochloride;trans-3-(Benzo[1,3]dioxol-5-yloxymethyl)-4-(4'-fluorobiphenyl-4-yl)piperidine hydrochloride;(3R,4S)-Rel-3-((benzo(d)(1,3)dioxol-5-yloxy)methyl)-4-(4'-fluoro-(1,1'-biphenyl)-4-yl)piperidine hydrochloride;1217655-87-2;54G82TSV4J;trans-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4'-fluoro-[1,1'-biphenyl]-4-yl)piperidine hydrochloride;TRANS-3-(BENZO[1,3]DIOXOL-5-YLOXYMETHYL)-4-(4'-FLUORO-BIPHENYL-4-YL)-PIPERIDINE HCL;trans-3-(benzo[1,3]dioxol-5-yloxymethyl)-4-(4'-fluoro-biphenyl-4-yl)-piperidine hydrochloride;(-)-TRANS-3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4''-FLUOROPHENYL-4'-PHENYL)PIPERIDINE HYDROCHLORIDE;3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4''-FLUOROPHENYL-4'-PHENYL)PIPERIDINE HYDROCHLORIDE, TRANS-(-)-;(3R,4S)-rel-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4'-fluoro[1,1'-biphenyl]-4-yl)-piperidine Hydrochloride;(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-[4-(4-fluorophenyl)phenyl]piperidine;hydrochloride;3-((Benzodioxol-5-yloxy)methyl)-4-(4'-fluorobiphenyl-4-yl)piperidine hydrochloride, (3SR,4RS)-;3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4''-FLUOROPHENYL-4'-PHENYL)PIPERIDINE HYDROCHLORIDE, TRANS-(+/-)-;(+/-)-TRANS-3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL-4-PHENYL)PIPERIDINE HYDROCHLORIDE;G2N13OH0O2;

标识符

MDL:
MFCD07784042
InChIKey:
LXCDAUDXYHUOFQ-WCRWPNQISA-N
Inchi:
1S/C25H24FNO3.ClH/c26-21-7-5-18(6-8-21)17-1-3-19(4-2-17)23-11-12-27-14-20(23)15-28-22-9-10-24-25(13-22)30-16-29-24;/h1-10,13,20,23,27H,11-12,14-16H2;1H/t20-,23-;/m0./s1
SMILES:
Cl.FC1C=CC(=CC=1)C1C=CC(=CC=1)[C@@H]1CCNC[C@H]1COC1=CC=C2C(=C1)OCO2

帕罗西汀与化合物G(联苯)(1217655-87-2)物化性质

实验特性

  • LogP : 6.12430
  • PSA : 39.72000
  • 熔点 : 203 - 204°C
  • 颜色与性状 : White to Yellow Solid

计算特性

  • 精确分子量 : 441.15100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 5
  • 同位素质量 : 441.1506995g/mol
  • 重原子数量 : 31
  • 复杂度 : 533
  • 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 : 2
  • 拓扑分子极性表面积 : 39.7Ų

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帕罗西汀与化合物G(联苯)(1217655-87-2)参考资料

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