315-72-0

• 常用中文名：息顿
• 常用英文名：opipramol
• CAS号：315-72-0
• 分子式：C₂₃H₂₉N₃O
• 分子量：363.49600
• 相关类别： 分析化学 标准品 法医和兽医标准品
• 发布时间：2018-09-15 17:49:26
• 更新时间：2024-01-11 11:45:26
• 奥普拉莫(Ensidon)是一种非典型的三环抗抑郁药(TCA)。奥普拉莫主要作为西格玛(σ)受体激动剂,可以与Ki值为50nM的西格玛识别位点有效相互作用。奥普拉莫可用于广泛性焦虑症(GAD)的研究[1][2]。

名称

• 中文名: 奥匹哌醇
• 英文名: 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol
• 中文别名: 息顿
• 英文别名: N-<3-<4-(2-Hydroxyoxyethyl)-piperazino>propyl>-2,2'-iminostilben; Opipramol; 4-[3-(5H-Dibenz[b,f]azepin-5-yl)-propyl]-1-piperazineethanol; 2-[4-(3-dibenzo[b,f]azepin-5-yl-propyl)-piperazin-1-yl]-ethanol; Insidon; Opipramolum [INN-Latin]; opipramol hydrochloride; [3H]-Opipramol; EINECS 206-254-0; Opipramol [INN:BAN]; Opipramol G; Nisidana; UNII-D23ZXO613C

物化性质

• 密度: 1.129 g/cm3
• 沸点: 555.1ºC at 760 mmHg
• 熔点: 100-101ºC
• 分子式: C₂₃H₂₉N₃O
• 分子量: 363.49600
• 闪点: 290.5ºC
• 精确质量: 363.23100
• PSA: 29.95000
• LogP: 3.24930
• 折射率: 1.6500 (estimate)
• 储存条件: -20°C Freezer
• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.6

  2.氢键供体数量:1

  3.氢键受体数量:4

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积:30

  7.重原子数量:27

  8.表面电荷:0

  9.复杂度:448

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

生物活性

• 描述: 奥普拉莫(Ensidon)是一种非典型的三环抗抑郁药(TCA)。奥普拉莫主要作为西格玛(σ)受体激动剂,可以与Ki值为50nM的西格玛识别位点有效相互作用。奥普拉莫可用于广泛性焦虑症(GAD)的研究[1][2]。
• 相关类别:
  研究领域 >> 神经疾病
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> Sigma Receptor
• 靶点:

  Ki: 50 nM (σ receptor); IC50: 5.5 μM ([3H] DA)[1].

• 体外研究: Opipramol可以有效地与Ki值为50nM的sigma识别位点相互作用[1]。奥普拉莫抑制粗突触体制剂中[3H]DA的摄取,IC50值为5.5μM[1]。
• 体内研究: 奥普拉莫(i.p.；5-50 mg/kg)增加体内多巴胺释放[2]。动物模型：Sprague Dawley大鼠(雄性,150-l 80 g)[2]剂量：5-50 mg/kg给药：腹腔注射结果：增加了大鼠纹状体中DOPAC和HVA的水平,而没有改变DA的稳态水平。有效地增加了大大鼠纹状体、嗅结节和梨状皮质中多巴胺的代谢。大鼠血浆催乳素增加,剂量仅为50 mg/kg。

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : TL8750000 CHEMICAL NAME : 1-Piperazineethanol, 4-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)- CAS REGISTRY NUMBER : 315-72-0 BEILSTEIN REFERENCE NO. : 0627076 LAST UPDATED : 199612 DATA ITEMS CITED : 9 MOLECULAR FORMULA : C23-H29-N3-O MOLECULAR WEIGHT : 363.55 WISWESSER LINE NOTATION : T C676 BNJ B3- AT6N DNTJ D2Q HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1110 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 25,519,1970 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 95 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 148,560,1964 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 497 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 148,560,1964 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 32 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 148,560,1964 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 181,68,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 120 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 148,560,1964 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 315 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 148,560,1964 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 45 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 148,560,1964 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 11 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 148,560,1964

安全

• 符号: GHS07, GHS09
• 信号词: Warning
• 危害声明: H302-H410
• 警示性声明: P273-P501
• 危害码 (欧洲): Xn,N
• 风险声明 (欧洲): 22-50/53
• 安全声明 (欧洲): 60-61
• 危险品运输编码: UN 3077 9 / PGIII
• RTECS号: TL8750000
• 海关编码: 2933990090

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%