奥替溴铵

• 常用名: 奥替溴铵
• 英文名: Otilonium Bromide
• CAS号: 26095-59-0
• 分子量: 563.567
• 密度: N/A
• 沸点: N/A
• 分子式: C₂₉H₄₃BrN₂O₄
• 熔点: 130-133ºC
• 闪点: N/A
• 符号: GHS07
• 信号词: Warning

奥替溴铵用途

Otilonium溴化物有抗毒蕈碱活性,可用于解痉。

奥替溴铵名称

• 中文名: 奥替溴铵
• 英文名: Octylonium Bromide
• 中文别名: 异雄酮.异雄酮 | N,N-二乙基-N-甲基-2-[[4[[2-(辛基)苯甲酰]氨基]苯甲酰]氧基]乙烷铵溴化物 | 奥替溴胺

奥替溴铵生物活性

• 描述: Otilonium溴化物有抗毒蕈碱活性,可用于解痉。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 由mAChR
  信号通路 >> 神经信号通路 >> mAChR
  研究领域 >> 神经疾病
• 参考文献:

  [1]. Battaglia, G., et al., Otilonium bromide in irritable bowel syndrome: a double-blind, placebo-controlled, 15-week study. Aliment Pharmacol Ther, 1998. 12(10): p. 1003-10.

  [2]. Clave, P., et al., Randomised clinical trial: otilonium bromide improves frequency of abdominal pain, severity of distention and time to relapse in patients with irritable bowel syndrome. Aliment Pharmacol Ther, 2011. 34(4): p. 432-42.

  [3]. Lindqvist, S., et al., The colon-selective spasmolytic otilonium bromide inhibits muscarinic M(3) receptor-coupled calcium signals in isolated human colonic crypts. Br J Pharmacol, 2002. 137(7): p. 1134-42.

  [4]. Gandia, L., et al., Otilonium: a potent blocker of neuronal nicotinic ACh receptors in bovine chromaffin cells. Br J Pharmacol, 1996. 117(3): p. 463-470.

奥替溴铵物理化学性质

• 熔点: 130-133ºC
• 分子式: C₂₉H₄₃BrN₂O₄
• 分子量: 563.567
• 精确质量: 562.240601
• PSA: 64.63000
• LogP: 3.39840
• InChIKey: VWZPIJGXYWHBOW-UHFFFAOYSA-N
• SMILES: CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1.[Br-]
• 外观性状: 白色粉末
• 储存条件: -20?C Freezer
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:5

  4.可旋转化学键数量:17

  5.互变异构体数量:4

  6.拓扑分子极性表面积:64.6

  7.重原子数量:36

  8.表面电荷:0

  9.复杂度:600

  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:2

奥替溴铵毒性和生态

奥替溴铵安全信息

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P305 + P351 + P338
• 危害码 (欧洲): Xi
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2923900090

奥替溴铵海关

• 海关编码: 2923900090
• 中文概述: 2923900090 其他季铵盐及季铵碱。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
• 申报要素: 品名, 成分含量, 用途
• Summary: 2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

奥替溴铵靶点实验

查看更多实验

实验名称：Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression 来源：NCGC External Id：SNCA-p-activity-luciferase

实验名称：Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu... 来源：824 External Id：CYP273

实验名称：p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree... 来源：824 靶标：N/A External Id：P53600

实验名称：p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce... 来源：824 靶标：N/A External Id：P53MS958

实验名称：p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary 来源：824 External Id：P53MS482

实验名称：p53 small molecule agonists, cell-based qHTS assay 来源：824 External Id：P53344

实验名称：p53 small molecule agonists, cell-based qHTS assay with human liver microsomes 来源：824 靶标：tumor suppressor p53 [Homo sapiens] External Id：P53MS233

实验名称：p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ... 来源：824 靶标：N/A External Id：P53MS837

实验名称：p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes 来源：824 靶标：tumor suppressor p53 [Homo sapiens] External Id：P53MS898

实验名称：Primary qHTS to identify gynecologic anti-cancer compounds using libraries of approve... 来源：NCGC 靶标：N/A External Id：OBG420

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奥替溴铵英文别名

• Doralin
• Spasmoctyl 40
• Ethanaminium (N,N-diethyl-N-methyl-2-[[4-[[2-(octyloxy)benzoyl]amino]benzoyl]oxy]
• diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium,bromide
• N,N-Diethyl-N-methyl-2-[(4-{[2-(octyloxy)benzoyl]amino}benzoyl)oxy]ethanaminium bromide
• EINECS 247-457-4
• MFCD00211142
• Ethanaminium, N,N-diethyl-N-methyl-2-[[4-[[2-(octyloxy)benzoyl]amino]benzoyl]oxy]-, bromide (1:1)
• Otilonium bromide
• Otilonium (bromide)