84-06-0 (醋酸奋乃静,Thiopropazate)

CAS号:
84-06-0
中文名称:
醋酸奋乃静
英文名称:
Thiopropazate
分子式:
C23H28ClN3O2S
分子量:
446.005323410034

醋酸奋乃静(84-06-0)名称与标识符

名称

中文别名:
醋酸奋乃静;
英文别名:
1-Piperazineethanol,4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-, 1-acetate;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl acetate;THIOPROPAZATE;Perphenazine acetate;Thiopropazat;CHEBI:59119;2-(4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethyl acetate;Dartal;Dartalan;Thiopropazate [INN];DB13557;N-(.beta.-Acetoxyethyl)-N'-(.gamma.-(2'-chloro-10'-phenothiazinyl)propyl)piperazine;1-Piperazineethanol, 4-(3-(2-chlorophenothiazin-10-yl)propyl)-, acetate (ester);UNII-0JFY081Q2X;Tiopropazato [INN-Spanish];1-Piperazineethanol, 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-, acetate;THIOPROPAZATE [HSDB];EINECS 201-513-4;HY-101614;2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethyl acetate;CHEMBL1697851;1-Piperazineethanol, 4-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-, acetate (ester);HSDB 3401;Thiopropazate [INN:BAN];N-(beta-Acetoxyethyl)-N'-(gamma-(2'-chloro-10'-phenothiazinyl)propyl)piperazine;0JFY081Q2X;1-(2-Acetoxyethyl)-4-(3-(2-chloro-10-phenothiazinyl)propyl)piperazine;2-Chloro-10-(3-(1-(2-acetoxyethyl)-4-piperazinyl)propyl)phenothiazine;Tiopropazato;NS00005784;THIOPROPAZATE [MI];1-Piperazineethanol, 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-, acetate (ester);Thiopropazatum [INN-Latin];D09216;10-(3-(1-(2-Acetoxyethyl)-4-piperazinyl)propyl)-2-chlorophenothiazine;1-(2-Acetoxyethyl)-4-[3-(2-chloro-10-phenothiazinyl)propyl]piperazine;2-(4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethyl acetate #;Thiopropazatum;1-Piperazineethanol, 4-(3-(2-chlorophenothiazin-10-yl)propyl)-, acetate;THIOPROPAZATE [WHO-DD];CS-6585;SC 7105;Thiopropazate (INN);AIUHRQHVWSUTGJ-UHFFFAOYSA-N;1-Piperazineethanol, 4-[3-(2-chlorophenothiazin-10-yl)propyl]-, acetate (ester);SCHEMBL144729;Q7784690;84-06-0;2-Chloro-10-[3-[1-(2-acetoxyethyl)-4-piperazinyl]propyl]phenothiazine;10-[3-[4-(2-Acetoxyethyl)-1-piperazinyl]propyl]-2-chlorophenothiazine;4-(3-(2-Chlorophenothiazin-10-yl)propyl)-1-piperazineethanol acetate;DTXSID6023654;

标识符

InChIKey:
AIUHRQHVWSUTGJ-UHFFFAOYSA-N
Inchi:
1S/C23H28ClN3O2S/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27/h2-3,5-8,17H,4,9-16H2,1H3
SMILES:
ClC1C=CC2=C(C=1)N(C1C=CC=CC=1S2)CCCN1CCN(CCOC(C)=O)CC1

醋酸奋乃静(84-06-0)物化性质

实验特性

  • 折射率 : 1.6100 (estimate)
  • 沸点 : bp0.1 214-218°
  • 闪点 : 307.3°C
  • 密度 : 1.1147 (rough estimate)

计算特性

  • 精确分子量 : 445.159076
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 8
  • 同位素质量 : 445.159076
  • 重原子数量 : 30
  • 复杂度 : 561
  • 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) : 4.8
  • 拓扑分子极性表面积 : 61.3

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