116539-60-7 ((R)-度洛西汀,(R)-Duloxetine)

CAS号:
116539-60-7
中文名称:
(R)-度洛西汀
英文名称:
(R)-Duloxetine
分子式:
C18H19NOS
分子量:
297.414563417435

(R)-度洛西汀(116539-60-7)名称与标识符

名称

中文别名:
度洛西汀;(S)-(+)-N-甲基-3-(1-萘氧基)-3-(2-噻吩)-丙胺;(R)-(-)-N-甲基-3-(1-萘氧基)-3-(2-噻吩)-丙胺;R-(-)-度洛西汀;右旋度洛西汀盐酸盐;(R)-度洛西汀;度洛西汀EP杂质A;度洛西汀杂质;硼酸铝盐;盐酸度洛西汀;R-度洛西汀草酸盐;R-度洛西汀盐酸盐;
英文别名:
Duloxetine;N-Methyl-gama-(1-naphthalenyloxy)-2-thiophenepropanamine;(r)-n-methyl-gama-(1-naphthalenyloxy)-2-thiophenepropanamine;R-DULOXETINE HCL;(R)-Duloxetine;Duloxetine intermediate;(3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;R-Duloxetine;Ariclaim;Cymbalta;N-methyl-3-napthalen-1-oxy-3-thiophen-2-yl-1-amine;UNII-TK9VOT90JQ;(R)-Doluxitine;R-DULOXETINE Oxalate;Duloxetine hydrochloride impurity A;Duloxetine hydrochloride impurity A -G;(R)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-aMine hydrochloride;Duloxetine impurity A;Duloxetine hydrochloride specified impurity A [EP];2-THIOPHENEPROPANAMINE, N-METHYL-.GAMMA.-(1-NAPHTHALENYLOXY)-, (R)-;(3R)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine;Duloxetine hydrochloride specified impurity A;116539-60-7;TK9VOT90JQ;SCHEMBL1200511;CHEMBL336920;Duloxetine, (-)-;PDSP2_000954;Duloxetine hydrochloride impurity A [EP];BDBM50136674;AC-4731;Q27116966;(r)-n-methyl-3-(1-naphthoxy)-3-(2-thienyl)propylamine;2-THIOPHENEPROPANAMINE, N-METHYL-.GAMMA.-(1-NAPHTHALENYLOXY)-, (.GAMMA.R)-;LY248685;(-)-Duloxetine;Duloxetine, (R)-;2-Thiophenepropanamine, N-methyl-gamma-(1-naphthalenyloxy)-, (R)-;2-Thiophenepropanamine, N-methyl-gamma-(1-naphthalenyloxy)-, (gammaR)-;DULOXETINE HYDROCHLORIDE IMPURITY A [EP IMPURITY];AS-12985;DTXCID9073915;PDSP1_000970;AKOS015895877;DULOXETINE HYDROCHLORIDE IMPURITY A (EP IMPURITY);(3R)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine;(3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine;CHEBI:36797;DTXSID40151424;

标识符

MDL:
MFCD09264316
InChIKey:
ZEUITGRIYCTCEM-QGZVFWFLSA-N
Inchi:
1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1
SMILES:
S1C=CC=C1[C@@H](CCNC)OC1=CC=CC2C=CC=CC1=2

(R)-度洛西汀(116539-60-7)物化性质

实验特性

  • LogP : 5.82380
  • PSA : 49.50000
  • 折射率 : 1.627
  • 沸点 : 466.2ºC at 760 mmHg
  • 熔点 : 160-165°C
  • 闪点 : 235.7ºC
  • 比旋光度 : -116.0° - -125.0° (c=1, MeOH)
  • 密度 : 1.158

计算特性

  • 精确分子量 : 333.09500
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 6
  • 同位素质量 : 297.119
  • 重原子数量 : 21
  • 复杂度 : 312
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 4.3
  • 拓扑分子极性表面积 : 49.5A^2

(R)-度洛西汀(116539-60-7)生产方法和用途

用途:
是一种5-羟色胺和去甲肾上腺素重摄取的双重抑制剂,能有效治疗抑郁症的情感和躯体症状

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