119520-05-7 (盐酸齐帕特罗,Zilpaterol)

CAS号:
119520-05-7
中文名称:
盐酸齐帕特罗
英文名称:
Zilpaterol
分子式:
C14H19N3O2
分子量:
261.319563150406

盐酸齐帕特罗(119520-05-7)名称与标识符

名称

中文别名:
齐帕特罗;盐酸齐帕特罗;齐伐他汀HCL和对映异构体;齐帕特罗溶液,100PPM;
英文别名:
Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one,4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, (6R,7R)-rel-;Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one,4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]...;Zilpaterol;ZILPATEROL HYDROCHLORIDE;Zilpaterol​;(-trans-4,5,6,7-Tetrahydro-7-hydroxy-6-(isopropylamino)imidazo[4,5,1-jk][1]benzazepin-2(1H)-one;Imidazo(4,5,1-jk)(1)benzazepin-2(1H)-one,4,5,6,7-tetrahydro-7-hydroxy-6-((1-methylethyl)amino)-,(6R,7R)-rel;Imidazo(4,5,1-jk)(1)benzazepin-2(1H)-one,4,5,6,7-tetrahydro-7-hydroxy-6-((1-methylethyl)amino)-,trans-(-);RU-4217;zilpa;ZIPATEROL HYDROCHLORIDE (FOR RESEARCH ONLY);RU-42173;trans-(±)-Zilpaterol;zilpaterol Solution, 100ppm;Zilpaterol HCl and Enantiomer;ZILPATEROLHYDROCHLORIDEMONOHYDRATE(FORR&DONLY);Imidazo(4,5,1-jk)(1)benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-((1-methylethyl)amino)-, trans-( -)-;AC-826;DTXCID401333410;SCHEMBL97546;ZSTCZWJCLIRCOJ-DGCLKSJQSA-N;IMIDAZO(4,5,1-JK)(1)BENZAZEPIN-2(1H)-ONE, 4,5,6,7-TETRAHYDRO-7-HYDROXY-6-((1-METHYLETHYL)AMINO)-, TRANS-(+/-)-;(+/-)-trans-4,5,6,7-Tetrahydro-7-hydroxy-6-(isopropylamino)imidazo[4,5,1-jk][1]benzazepin-2(1H)-one;DB11479;ZILPATEROL [MI];AKOS015967219;Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, trans-()-; RU 42173; trans-()-Zilpaterol;CHEMBL462313;(9R,10R)-9-hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.0^{4,13}]trideca-4(13),5,7-trien-2-one;ZILPATEROL [GREEN BOOK];S384A1Y12J;(9R,10R)-9-hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;Zilpaterol [INN];Imidazo(4,5,1-jk)(1)benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-((1-methylethyl)amino)-, (6R,7R)-rel-;DTXSID50904261;(+/-)-TRANS-4,5,6,7-TETRAHYDRO-7-HYDROXY-6-(ISOPROPYLAMINO)IMIDAZO(4,5,1-JK)(1)BENZAZEPIN-2(1H)-ONE;(6RS,trans) 6-isopropylamino-7-hydroxy-4,5,6,7-tetrahydro-imidazo[4,5,l-j-k][1]-benzazepin-2(1H)-one;(-)-Zilpaterol;Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, (6R,7R)-rel-Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, trans-(+/-)-; RU 42173; Zilpaterol; trans-(+/-)-Zilpaterol;zilpaterolum;CHEBI:180945;TRANS-(+/-)-ZILPATEROL;UNII-S384A1Y12J;J-004146;117827-79-9;9-Hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;BDBM27955;REL-(6R,7R)-4,5,6,7-TETRAHYDRO-7-HYDROXY-6-((1-METHYLETHYL)AMINO)IMIDAZO(4,5,1-JK)(1)BENZAZEPIN-2(1H)-ONE;RU 42173;119520-05-7;Imidazo(4,5,1-jk)(1)benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-((1-methylethyl)amino)-, trans-(+-)-;(9R,10R)-9-hydroxy-10-[(propan-2-yl)amino]-1,3-diazatricyclo[6.4.1.0?,??]trideca-4,6,8(13)-trien-2-one;RU 42 173;BCP21602;Q8071932;NCGC00346470-02;BRD-K85285268-003-01-1;

标识符

InChIKey:
ZSTCZWJCLIRCOJ-DGCLKSJQSA-N
Inchi:
1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m1/s1
SMILES:
O[C@@H]1C2=CC=CC3=C2N(C(N3)=O)CC[C@H]1NC(C)C

盐酸齐帕特罗(119520-05-7)物化性质

实验特性

  • LogP : 2.32620
  • PSA : 70.05000
  • 折射率 : 1.64
  • 熔点 : 123-126°C
  • 稳定性 : Temperature Sensitive

计算特性

  • 精确分子量 : 297.12400
  • 氢键供体数量 : 3
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 2
  • 同位素质量 : 261.148
  • 重原子数量 : 19
  • 复杂度 : 361
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 0.5
  • 拓扑分子极性表面积 : 64.6A^2

盐酸齐帕特罗(119520-05-7)安全信息

盐酸齐帕特罗(119520-05-7)海关数据

海关编码:
29339900

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