1420-55-9 (乙巯拉嗪,thiethylperazine)

CAS号:
1420-55-9
中文名称:
乙巯拉嗪
英文名称:
thiethylperazine
分子式:
C22H29N3S2
分子量:
399.615762472153
简介:
Thiethylperazine 是一种吩噻嗪衍生物,是一种口服有效的多巴胺 D2 受体和组胺 H1 受体拮抗剂。Thiethylperazine 也是一种选择性的 ABCC1 激活剂,可减少小鼠中的淀粉样 β (Aβ) 负荷。Thiethylperazine 具有止吐,抗精神病和抗菌作用。

乙巯拉嗪(1420-55-9)名称与标识符

名称

中文别名:
乙巯拉嗪;乙巯匹拉嗪;硫乙哌丙嗪;硫乙拉嗪;吐来抗;
英文别名:
thiethylperazine;2-ethylthio-10-(3-(4-methylpiperazin-1-yl)propyl)phenothiazine;Ethylthioperazine.;thietylperazine;Tietylperazine;Torecane;2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-(Ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine;EN300-19766526;2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-oxidanylbutanedioic acid;Norzine;Thiethylperazine [USAN:INN:BAN];Tresten (Salt/Mix);BCP09601;2-(ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine;2-hydroxybutanedioic acid;Tietilperazina;Norzine (Salt/Mix);2-(Ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazine;2-(ethylsulfanyl)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine;1179-69-7;2-(ethylthio)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine;Thiethylperazinum [INN-Latin];XCTYLCDETUVOIP-UHFFFAOYSA-N;SCHEMBL49124;THIETHYLPERAZINE [VANDF];2-(ethylthio)-10-[3-(4-methylpiperazino)propyl]phenothiazine;malic acid;THIETHYLPERAZINE [INN];THIETHYLPERAZINE [MART.];MS-26778;Q372725;HY-B1794;2-(Ethylsulfanyl)-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine #;THIETHYLPERAZINE [WHO-DD];DB00372;THIETHYLPERAZINE [USAN];MLS002154140;Thioethylperazine;NCGC00262537-04;THIETHYLPERAZINE [HSDB];GTPL7306;UNII-8ETK1WAF6R;AB00514742;NSC130044;10H-Phenothiazine, 2-(ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)-;3-Ethylmercapto-10-(1'-methylpiperazinyl-4'-propyl)phenothiazine;CHEMBL1378;Thiethylperazine (USAN/INN);CHEBI:9544;cid_3085006;Thiethylperazine maleate;Torecan;2-(ethylthio)-10-(3-(4-methylpiperazin-1-yl)propyl)-10H-phenothiazine;BDBM78436;Norzine (*Dimaleate*);1420-55-9;10H-Phenothiazine, 2-(ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]-;SMR001233447;EINECS 215-819-0;C07132;THIETHYLPERAZINE [MI];Phenothiazine, 2-(ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)-;CS-0013829;D02354;Theithylperazine;Thiethylperazine maleate (Salt/Mix);L000871;2-(Ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine;HSDB 3400;Tietilperazina [DCIT];Thiethylperazinum;GS-95 (*Dimaleate*);Torecan (Salt/Mix);NS00004048;8ETK1WAF6R;2-(Ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]phenthiazine;Phenothiazine, 2-(ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]-;Thiethylpipezazine;ETHYLTHIOPERAZINE;DTXSID1023651;DA-78419;BRD-K69600043-328-05-5;

标识符

MDL:
MFCD00865537
InChIKey:
XCTYLCDETUVOIP-UHFFFAOYSA-N
Inchi:
1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3
SMILES:
S1C2C=CC=CC=2N(C2C=C(C=CC1=2)SCC)CCCN1CCN(C)CC1

乙巯拉嗪(1420-55-9)物化性质

实验特性

  • LogP : 4.97960
  • PSA : 60.32000
  • 折射率 : 1.5605 (estimate)
  • 沸点 : bp0.01 227°
  • 熔点 : 62-64°
  • 闪点 : 292.4°C
  • 密度 : 1.1684 (rough estimate)

计算特性

  • 精确分子量 : 399.18000
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 6
  • 同位素质量 : 399.180289
  • 重原子数量 : 27
  • 复杂度 : 455
  • 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) : 5.4
  • 拓扑分子极性表面积 : 60.3

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