885340-12-5 (1-[3-(苯甲酰氧基)丙基]-2,3-二氢-5-[(2R)-2-[[2-[2-(2,2,2-三氟乙氧基)苯氧基]乙基]氨基]丙基]-1H-吲哚-7-甲腈乙二酸盐,7-Descarboxamido, 7-Cyano (R)-Silodosin O-Benzoate Oxalate)

CAS号:
885340-12-5
中文名称:
1-[3-(苯甲酰氧基)丙基]-2,3-二氢-5-[(2R)-2-[[2-[2-(2,2,2-三氟乙氧基)苯氧基]乙基]氨基]丙基]-1H-吲哚-7-甲腈乙二酸盐
英文名称:
7-Descarboxamido, 7-Cyano (R)-Silodosin O-Benzoate Oxalate
分子式:
C34H36F3N3O8
分子量:
671.660160064697

1-[3-(苯甲酰氧基)丙基]-2,3-二氢-5-[(2R)-2-[[2-[2-(2,2,2-三氟乙氧基)苯氧基]乙基]氨基]丙基]-1H-吲哚-7-甲腈乙二酸盐(885340-12-5)名称与标识符

名称

中文别名:
1-[3-(苯甲酰氧基)丙基]-2,3-二氢-5-[(2R)-2-[[2-[2-(2,2,2-三氟乙氧基)苯氧基]乙基]氨基]丙基]-1H-吲哚-7-甲腈乙二酸盐;1-[3-(苯甲酰氧基)丙基]-2,3-二氢-5-[(2R)-2-[[2-[2-(2,2,2-三氟乙氧基)苯氧基]乙基]氨基;西罗多辛缩合物草酸盐;
英文别名:
(R)-3-(7-Cyano-5-(2-((2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl)amino)propyl)indolin-1-yl)propyl benzoate oxalate;(R)-3-(7-Cyano-5-(2-((2-(2-(2,2,2-trifluoroethoxy)phenoxy)-ethyl)amino)propyl)indolin-1-yl)propyl benzoate oxalate;1-[3-(benzoyloxy)propyl]-2,3-dihydro-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]prophl]-1H-Indole-7-carbonitrile,ethanedioate(1:1);1-[3-(Benzoyloxy)propyl]-2,3-dihydro-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-indole-7-carbonitrile ethanedioate;BAYQIJBUNUHEKS-GNAFDRTKSA-N;C32H34F3N3O4.C2H2O4;ST2402629;Z3512;1-[3-(Benzoyloxy)propyl]-2,3-dihydro-5-[(2R)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethy;3-[7-Cyano-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindol-1-yl]p;7-Descarboxamido, 7-Cyano (R)-Silodosin O-Benzoate Oxalate;1-[3-(Benzoyloxy)propyl]-2,3-dihydro-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-indole-7-carbonitrile ethanedioate (1:1) (ACI);C13046;CS-B1289;1-[3-(benzoyloxy)propyl]-2,3-dihydro-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-Indole-7-carbonitrile oxalate;AC-26977;trifluoroethoxy)phenoxy)ethyl)amino)propyl)indolin-1-yl)propyl benzoate oxalate;Oxalic acid--3-{7-cyano-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indol-1-yl}propyl benzoate (1/1);DB-363159;CS-15091;3-[7-cyano-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindol-1-yl]propyl benzoate;oxalic acid;885340-12-5;SCHEMBL526172;Cyano-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindol-1-yl]propyl benzoate;oxalic acid;AKOS015999453;(R)-3-(7-Cyano-5-(2-((2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl)amino)propyl)indolin-1-yl)propylbenzoateoxalate;1-[3-(Benzoyloxy)propyl]-2,3-dihydro-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-indole-7-carbonitrile ethanedioate (1:1); (R)-3-(7-Cyano-5-(2-((2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl)amino)propyl)indolin-1-yl)propyl benzoate Oxalate;DTXSID20735625;3-{7-cyano-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)-phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indol-1-yl}-propyl benzoate monooxalate;

标识符

MDL:
MFCD22494934
InChIKey:
BAYQIJBUNUHEKS-GNAFDRTKSA-N
Inchi:
1S/C32H34F3N3O4.C2H2O4/c1-23(37-13-17-40-28-10-5-6-11-29(28)42-22-32(33,34)35)18-24-19-26-12-15-38(30(26)27(20-24)21-36)14-7-16-41-31(39)25-8-3-2-4-9-25;3-1(4)2(5)6/h2-6,8-11,19-20,23,37H,7,12-18,22H2,1H3;(H,3,4)(H,5,6)/t23-;/m1./s1
SMILES:
C(=O)(O)C(=O)O.C(N1CCC2=CC(=CC(=C12)C#N)C[C@@H](C)NCCOC1C=CC=CC=1OCC(F)(F)F)CCOC(C1C=CC=CC=1)=O

1-[3-(苯甲酰氧基)丙基]-2,3-二氢-5-[(2R)-2-[[2-[2-(2,2,2-三氟乙氧基)苯氧基]乙基]氨基]丙基]-1H-吲哚-7-甲腈乙二酸盐(885340-12-5)物化性质

计算特性

  • 精确分子量 : 671.24544960g/mol
  • 氢键供体数量 : 3
  • 氢键受体数量 : 14
  • 可旋转化学键数量 : 16
  • 同位素质量 : 671.24544960g/mol
  • 重原子数量 : 48
  • 复杂度 : 946
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 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 : 158

1-[3-(苯甲酰氧基)丙基]-2,3-二氢-5-[(2R)-2-[[2-[2-(2,2,2-三氟乙氧基)苯氧基]乙基]氨基]丙基]-1H-吲哚-7-甲腈乙二酸盐(885340-12-5)推荐厂家 更多厂家(18)

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