443144-27-2 (普凡色林盐酸盐,Pruvanserin Hydrochloride)

CAS号:
443144-27-2
中文名称:
普凡色林盐酸盐
英文名称:
Pruvanserin Hydrochloride
分子式:
C22H22ClFN4O
分子量:
412.887687206268

普凡色林盐酸盐(443144-27-2)名称与标识符

名称

中文别名:
灵芝酸 C2;普凡色林盐酸盐;
英文别名:
Pruvanserin Hydrochloride;7-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile,hydrochloride;Pruvanserin Hydrochl;CHEMBL2104980;D06633;LSN-2420586;LY 2422347;Pruvanserin HCl;Pruvanserin hydrochloride (USAN);SureCN678953;UNII-AWA682DH9Z;SCHEMBL678953;443144-27-2 (Pruvanserin HCl);LY-2422347 HYDROCHLORIDE;EMD-281014 hydrochloride;EMD-281014;7-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-1-ium-3-carbonitrile;chloride;7-[[4-[2-(4-Fluorophenyl)ethyl]-1-piperazinyl]carbonyl]-1H-indole-3-carbonitrile;7-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile;hydrochloride;AKOS024458175;LY2422347 HCl;GLXC-01561;AWA682DH9Z;Piperazine, 1-((3-cyano-1H-indol-7-yl)carbonyl)-4-(2-(4-fluorophenyl)ethyl)-, monohydrochloride;7-{4-[2-(4-fluorophenyl)ethyl]-piperazine-1-carbonyl}-1H-indole-3-carbonitrile, hydrochloride;UYGNZRVLPYZLTF-UHFFFAOYSA-N;DTXSID00196134;LY-2422347 HCL;CS-0024514;LSN2420586;7-(4-(4-fluorophenethyl)piperazine-1-carbonyl)-1H-indole-3-carbonitrile hydrochloride;LSN 2420586; LY 2422347 HCl; LY 2422347 hydrochloride; Pruvanserin hydrochloride;Pruvanserin hydrochloride [USAN];7-{4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl}-1H-indole-3-carbonitrile, monohydrochloride;EMD 281014 hydrochloride;443144-27-2;7-(4-(2-(4-Fluorophenyl)ethyl)piperazine-1-ylcarbonyl)-1H-indole-3-carbonitrile hydrochloride;HY-103115;EMD281014 hydrochloride;Q27274153;Pruvanserin (hydrochloride);7-(4-(2-(4-Fluorophenyl)ethyl)piperazine-1-carbonyl)-1H-indole-3-carbonitrile, monohydrochloride;DTXCID10118625;

标识符

InChIKey:
UYGNZRVLPYZLTF-UHFFFAOYSA-N
Inchi:
1S/C22H21FN4O.ClH/c23-18-6-4-16(5-7-18)8-9-26-10-12-27(13-11-26)22(28)20-3-1-2-19-17(14-24)15-25-21(19)20;/h1-7,15,25H,8-13H2;1H
SMILES:
Cl.FC1C=CC(=CC=1)CCN1CCN(C(C2C=CC=C3C(C#N)=CNC=23)=O)CC1

普凡色林盐酸盐(443144-27-2)物化性质

计算特性

  • 精确分子量 : 412.1466172g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 4
  • 同位素质量 : 412.1466172g/mol
  • 重原子数量 : 29
  • 复杂度 : 589
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 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 : 63.1Ų

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