56-94-0

• 常用中文名：地美溴铵
• 常用英文名：Demecarium bromide
• CAS号：56-94-0
• 分子式：C₃₂H₅₂Br₂N₄O₄
• 分子量：716.588
• 相关类别： 原料药 神经系统用药 拟胆碱药
• 发布时间：2018-07-04 22:24:42
• 更新时间：2026-07-03 22:40:30
• Demecarium Bromide (BC-48) 是一种有效的 cholinesterase 抑制剂,Kiapp 值为 0.15 μM。Demecarium Bromide (BC-48) 用作青光眼治疗剂。

名称

• 中文名: 地美溴铵
• 英文名: demecarium bromide
• 中文别名: 地美溴铵 标准品; 地美溴铵,10 MM DMSO 溶液; 代麦卡; 眼部疾病用药-地美溴铵; 地美溴胺; 待买卡农; 3,3'-(1,10-亚癸基双((甲基亚氨)甲酰氧基))双(N,N,N-三甲基苯铵))二溴化物
• 英文别名: benzenaminium,3,3’-(1,10-decanediylbis((methylimino)cbonyloxy))bis(n,n,n-t; 2br; trimethyl-[3-[methyl-[10-[methyl-[3-(trimethylammonio)phenoxy]carbonyl-amino]decyl]cbamoyl]oxyphenyl]ammonium dibromide; humorsol; n,n’-bis(3-trimethylammoniumphenoxycbonyl)-n,n’-dimethyldecamethylenediamine; Visumiotic; Demecium bromide, 10 mM in DMSO; Tonilen; Demecium Bromide; trimethyl-[3-[methyl-[10-[methyl-[3-(trimethylazaniumyl)phenoxy]carbonylamino]decyl]carbamoyl]oxyphenyl]azanium,dibromide; ammonium,(m-hydroxyphenyl)trimethyl-,bromide,decamethylenebis(methylcbamat; N,N-decamethylenebis(N,N,N-trimethyl-3-methylcbamoyloxyanilinium) dibromide; Demecium; decamethylenebis(m-dimethylaminophenyl-n-methylcbamate)dimethobromide; Tosmicil; tosmicil; Trimethyl-[3-[methyl-[10-[methyl-(3-trimethylazaniumylphenoxy)cbonylamino]decyl]cbamoyl]oxyphenyl]azanium dibromide; Demecium bromide //BP; benzenaminium,3,3’-(1,10-decanediylbis((methylimino)cbonyloxy))bis(n,n,n-tri; 3,3'-(1,10-decanediylbis((methylimino)cbonyloxy))bis(n,n,n-trimethyl-benzenaminium)) dibromide; demekiumbromide; tonilen; Tosmilen; decamethylenebis(n-methylcbamicacidm-dimethylaminophenylester)bromomethyl; 3,3'-(((Decane-1,10-diylbis(methylazanediyl))bis(carbonyl))bis(oxy))bis(N,N,N-trimethylbenzenaminium) bromide; 3,3'-{1,10-Decanediylbis[(methylcarbamoyl)oxy]}bis(N,N,N-trimethylanilinium) dibromide; Demekastigmine bromide; bc48; tosmilen; 3,3'-{Decane-1,10-diylbis[(methylcarbamoyl)oxy]}bis(N,N,N-trimethylanilinium) dibromide; demekastigminebromide; frumtosnil; visumatic; tosmilene; 3,3'-[1,10-Decanediylbis[(methylimino)carbonyloxy]]bis[N,N,N-trimethylbenzenaminium]dibromide; Benzenaminium, 3,3'-[1,10-decanediylbis[(methylimino)carbonyloxy]]bis[N,N,N-trimethyl-, bromide (1:2); Humorsol; e)(2:1); 3,3'-[1,10-Decanediylbis[(methylimino)cbonyloxy]]bis[N,N,N-trimethylbenzenaminium]; (m-hydroxyphenyl)trimethylammoniumbromidedecamethylenebis(methylcbamate); decamethylenebis[m-dimethylaminophenyl n-methylcarbamate] dimethobromide; Decamethylenebis[N-methylcarbamic Acid m-Dimethylaminophenyl Ester] Bromidethylate; Tosmilene; EINECS 200-301-9; N,N'-Bis[3-trimethylammoniumphenoxycarbonyl]-N,N'-dimethyldecamethylenediamine Dibromide; Frumtosnil; Visumatic

物化性质

• 熔点: 164 - 170ºC
• 分子式: C₃₂H₅₂Br₂N₄O₄
• 分子量: 716.588
• 精确质量: 714.235535
• PSA: 59.08000
• LogP: 0.77020
• 储存条件: 2-8℃
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:6

  4.可旋转化学键数量:17

  5.互变异构体数量:无

  6.拓扑分子极性表面积59.1

  7.重原子数量:42

  8.表面电荷:0

  9.复杂度:686

  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:3

生物活性

• 描述: Demecarium Bromide (BC-48) 是一种有效的 cholinesterase 抑制剂,Kiapp 值为 0.15 μM。Demecarium Bromide (BC-48) 用作青光眼治疗剂。
• 相关类别:
  研究领域 >> 神经疾病
  信号通路 >> 神经信号通路 >> 疼痛
• 靶点:

  Kiapp: 0.15 μM (Cholinesterase)[1]

• 体内研究: 去甲肾上腺素(0.125和0.5％)引起长期瞳孔缩小,降低了正常血压眼和遗传性青光眼的小于眼内压(IOP)[1]。
• 参考文献:

  [1]. Brown JH, et al. Activation and blockade of cardiac muscarinic receptors by endogenous acetylcholine and cholinesterase inhibitors. J Pharmacol Exp Ther. 1982 Oct;223(1):20-4.

  [2]. Gum GG, et al. Effect of topically applied demecarium bromide and echothiophate iodide on intraocular pressure and pupil size in beagles with normotensive eyes and beagles with inherited glaucoma. Am J Vet Res. 1993 Feb;54(2):287-93.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : BR3130000 CHEMICAL NAME : Ammonium, (m-hydroxyphenyl)trimethyl-, bromide, decamethylenebis(methylcarbamate) CAS REGISTRY NUMBER : 56-94-0 LAST UPDATED : 199709 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C32-H52-N4-O4.2Br HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 6490 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 1,168,1967 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 29 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 128,307,1960 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 24500 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 1,168,1967 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3186 No. of Facilities: 9 (estimated) No. of Industries: 2 No. of Occupations: 9 No. of Employees: 3239 (estimated) No. of Female Employees: 1168 (estimated)

安全

• 安全声明 (欧洲): S22-S26-S36/37-S36/37/39
• 危险品运输编码: 3077
• WGK德国: 3
• 包装等级: III
• 危险类别: 9