1759-09-7 (左甲硫拉嗪,Methiomeprazine)

CAS号:
1759-09-7
中文名称:
左甲硫拉嗪
英文名称:
Methiomeprazine
分子式:
C19H24N2S2
分子量:
344.537261962891

左甲硫拉嗪(1759-09-7)名称与标识符

名称

中文别名:
2-(4-氟苯基)-3-(三氟据埃及)吡唑-4-羧酸乙酯;左甲硫拉嗪;
英文别名:
10H-Phenothiazine-10-propanamine,N,N,b-trimethyl-2-(methylthio)-, (-)-;(-)-10-(3-(Dimethylamino)-2-methylpropyl)-2-(methylthio)phenothiazine;Levometiomeprazine;Levometiomeprazine [INN:DCF];N,N,2-trimethyl-3-[2-(methylsulfanyl)-10H-phenothiazin-10-yl]propan-1-amine;UNII-3DEP0MVZ0Z;Phenaceda;Levometimeprazine;dimethyl-[2-methyl-3-[2-(methylthio)phenothiazin-10-yl]propyl]amine;N,N,2-trimethyl-3-(2-methylsulfanylphenothiazin-10-yl)propan-1-amine;N,N,2-trimethyl-3-(2-(methylthio)-10H-phenothiazin-10-yl)propan-1-amine;Methiomeprazine;7009-43-0;1759-09-7;Methiomeprazine [INN];Methiomeprazine, (-)-;Levometiomeprazin;SCHEMBL2109460;UNII-X2R9QTF0OL;(-)-10-(3-Dimethylamino-2-methylpropyl)-2-(methylthio)phenothiazine;SKF 6270;2-Methylthio-10-(2-methyl-3-dimethylaminopropyl)phenothiazine;3DEP0MVZ0Z;13405-77-1;PHENOTHIAZINE, 10-(3-(DIMETHYLAMINO)-2-METHYLPROPYL)-2-(METHYLTHIO)-, (-)-;(+/-)-10-(3-(DIMETHYLAMINO)-2-METHYLPROPYL)-2-(METHYLTHIO)PHENOTHIAZINE;AQMNNXSLDLIGII-UHFFFAOYSA-N;METHIOMEPRAZINE [WHO-DD];(+-)-10-(3-Dimethylamino-2-methylpropyl)-2-(methylthio)phenothiazine;Methiomeprazinum [INN-Latin];Metiomeprazina [INN-Spanish];69QK93RS6Q;Methiomeprazin;METHIOMEPRAZINE, (+)-;DTXSID90862750;Levomethiomeprazine;X2R9QTF0OL;CHEMBL2110981;Phenothiazine, 10-(3-(dimethylamino)-2-methylpropyl)-2-(methylthio)-, (+-)-;Metiomeprazina;10H-Phenothiazine-10-propanamine, N,N,beta-trimethyl-2-(methylthio)-;Methiomeprazinum;NS00003161;LEVOMETIOMEPRAZINE [INN];10H-Phenothiazine-10-propanamine, N,N,.beta.-trimethyl-2-(methylthio)-, (-)-;3-[(aminocarbonyl)amino]benzoicacid;AKOS040747149;10H-PHENOTHIAZINE-10-PROPANAMINE, N,N,.BETA.-TRIMETHYL-2-(METHYLTHIO)-, (+)-;10H-PHENOTHIAZINE-10-PROPANAMINE, N,N,.BETA.-TRIMETHYL-2-(METHYLTHIO)-;10584 RP;RP 10584;EINECS 230-285-9;

标识符

InChIKey:
AQMNNXSLDLIGII-UHFFFAOYSA-N
Inchi:
1S/C19H24N2S2/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3
SMILES:
S1C2C=CC=CC=2N(C2C=C(C=CC1=2)SC)CC(C)CN(C)C

左甲硫拉嗪(1759-09-7)物化性质

实验特性

  • PSA : 6.48
  • 折射率 : 1.659
  • 沸点 : 480.8°C at 760 mmHg
  • 闪点 : 244.6°C
  • 密度 : 1.2

计算特性

  • 精确分子量 : 344.13832
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 5
  • 同位素质量 : 344.13809
  • 重原子数量 : 23
  • 复杂度 : 376
  • 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 : 1
  • 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) : 5.2
  • 拓扑分子极性表面积 : 57.1