27591-97-5 (乙胺芴酮,Tilorone)

CAS号:
27591-97-5
中文名称:
乙胺芴酮
英文名称:
Tilorone
分子式:
C25H34N2O3
分子量:
410.549067020416

乙胺芴酮(27591-97-5)名称与标识符

名称

中文别名:
乙胺芴酮;双二乙胺基芴酮;泰洛龙;泰洛伦;梯洛龙;叔胺醚芴酮;替洛隆;2,7-双[2-(二乙基氨基)乙氧基]-9-芴酮;乙氨芴酮;
英文别名:
Tilorone;2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one;Bis-DEAE-fluorenone;Tilorone base;Tilorone hydrochloride;2,7-Bis[2-(diethylamino)ethoxy]-9-fluorenone;2,7-Bis(2-diethylaminoethoxy)fluoren-9-one dihydrochloride;Pharmakon1600-02300009;Spectrum2_001742;Spectrum3_001055;BRD-K34568562-001-03-5;2, {7-Bis[2-(diethylamino)ethoxy]fluoren-9-one} dihydrochloride;A26270;Fluoren-9-one, 2, {7-bis[2-(diethylamino)ethoxy]-,} dihydrochloride;2,7-bis(2-(diethylamino)ethoxy)-9h-fluoren-9-ondihydrochloride;KBio1_000018;KBioSS_000711;DivK1c_000018;NCGC00178576-01;AS-14877;9H-Fluoren-9-one, {2,7-bis[2-(diethylamino)ethoxy]-,} dihydrochloride;Tilorona;KBio2_000711;BSPBio_002610;AC-24571;A918337;TILORONE [WHO-DD];HMS2094I17;CAS-27591-97-5;SCHEMBL352401;DEAE-F;AB00053319_02;BRN 2011558;HMS1922J22;Spectrum5_001889;O6W7VEW6KS;CHEBI:109553;SR-05000001961-1;HMS500A20;SBI-0052826.P002;SR-05000001961;2,7-bis[2-(diethylamino)ethoxy]-9H-fluoren-9-one;MPMFCABZENCRHV-UHFFFAOYSA-N;Tox21_111484;NINDS_000018;IDI1_000018;Tilorona [INN-Spanish];CHEMBL47298;HMS641E05;Q2028068;BRD-K34568562-300-01-5;UNII-O6W7VEW6KS;NSC-759311;RMI 10008DA;TILORONE [MI];2,7-Bis(2-(diethylamino)ethoxy)-9H-fluoren-9-one;Q-201835;NSC143969;Oprea1_331997;NCGC00095196-04;NSC759311;NCGC00095196-03;Amixin IC;Tiloronum [INN-Latin];Tilorone [INN];SPECTRUM2300009;ChemDiv1_019101;27591-97-5;2,7-bis(2-diethylaminoethyloxy)fluoren-9-one;KBio3_001830;Tilorone hydrochloride(USAN);2,7-Bis-DEAE-fluorenone;Tiloron (*dihydrochloride*);NCGC00095196-02;NCGC00095196-06;DTXCID9025958;2,7-Bis[2-(diethylamino)ethoxy]-9-fluorenone; Bis-DEAE-fluorenone;KBio2_005847;CCG-39449;AKOS025310183;NCGC00095196-01;9H-Fluoren-9-one, 2,7-bis[2-(diethylamino)ethoxy]-;9H-FLUOREN-9-ONE, 2,7-BIS(2-(DIETHYLAMINO)ETHOXY)-;BDBM50364890;Tiloronum;Tox21_111484_1;Bis-DEAE-fluorenone (*dihydrochloride*);RMI 10008DA (*dihydrochloride*);DTXSID1045958;FT-0718249;CHEBI:147347;Spectrum_000231;SPBio_001844;KBio2_003279;BCP34398;2, 7-bis[2-(diethylamino)ethoxy]fluoren-9-one;STL483841;BRD-K34568562-001-04-3;HY-B1080A;CS-0013836;G78315;

标识符

MDL:
MFCD00866953
InChIKey:
MPMFCABZENCRHV-UHFFFAOYSA-N
Inchi:
1S/C25H34N2O3/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19/h9-12,17-18H,5-8,13-16H2,1-4H3
SMILES:
O(CCN(CC)CC)C1C=CC2=C(C=1)C(C1C=C(C=CC2=1)OCCN(CC)CC)=O

乙胺芴酮(27591-97-5)物化性质

实验特性

  • LogP : 4.33920
  • PSA : 42.01000
  • 折射率 : 1.563
  • 沸点 : 552.3°Cat760mmHg
  • 熔点 : 40-45°C
  • 闪点 : 287.8°C
  • 密度 : 1.102

计算特性

  • 精确分子量 : 410.25700
  • 氢键供体数量 : 0
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 12
  • 同位素质量 : 410.256943
  • 重原子数量 : 30
  • 复杂度 : 477
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 4.7
  • 拓扑分子极性表面积 : 42

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