2870-71-5

• 常用中文名：溴代甲基阿托品
• 常用英文名：atropine methyl bromide
• CAS号：2870-71-5
• 分子式：C₁₈H₂₆BrNO₃
• 分子量：384.31
• 相关类别： 原料药 消化系统用药 胃肠解痉药
• 发布时间：2018-04-10 08:00:00
• 更新时间：2024-01-14 23:29:31
• Atropine methyl bromide, 是毒蕈碱型受体 (mAChR) 的拮抗剂,是阿托品的季铵盐,是眼科检查时用于瞳孔扩张的药物。由于其高度极性,被用于缓解婴儿幽门痉挛。它比阿托品更不易进入中枢神经系统。

名称

• 中文名: 溴代甲基阿托品
• 英文名: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate,bromide
• 中文别名: 溴甲阿托品; 阿托品甲基溴化物
• 英文别名: Hyoscyamine methylbromide; EINECS 220-700-1; 8-Methylatropinium bromide; Methylatropine bromide; Mintussin; Methylatropinium bromide; Atropine methobromide; atropine methyl bromohydrate; 8,8-dimethyl-3endo-DL-tropoyloxy-nortropanium,bromide; MFCD00050293; ATROPINE METHYL BROMIDE; Tropin; Mydriasin; N-Methylatropine bromide; 8,8-Dimethyl-3endo-DL-tropoyloxy-nortropanium,Bromid

物化性质

• 熔点: 222-223°
• 分子式: C₁₈H₂₆BrNO₃
• 分子量: 384.31
• 精确质量: 383.11000
• PSA: 46.53000
• 外观性状: neat
• 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:1

  3.氢键受体数量:4

  4.可旋转化学键数量:5

  5.互变异构体数量:无

  6.拓扑分子极性表面积:46.5

  7.重原子数量:23

  8.表面电荷:0

  9.复杂度:387

  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:3

  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

生物活性

• 描述: Atropine methyl bromide, 是毒蕈碱型受体 (mAChR) 的拮抗剂,是阿托品的季铵盐,是眼科检查时用于瞳孔扩张的药物。由于其高度极性,被用于缓解婴儿幽门痉挛。它比阿托品更不易进入中枢神经系统。
• 相关类别:
  信号通路 >> 神经信号通路 >> mAChR
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 由mAChR
  研究领域 >> 神经疾病
• 参考文献:

  [1]. Methylatropine.

  [2]. Nurminen ML, et al. Central inhibition of nitric oxide synthesis increases blood pressure and heart rate in anesthetized rats. Methods Find Exp Clin Pharmacol. 1997 Jan-Feb;19(1):35-41.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : YM3720000 CHEMICAL NAME : 1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-methyl-, bromide, (+-)-tropate (ester) CAS REGISTRY NUMBER : 2870-71-5 LAST UPDATED : 199701 DATA ITEMS CITED : 10 MOLECULAR FORMULA : C18-H26-N-O3.Br MOLECULAR WEIGHT : 384.36 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 : 1050 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: 180,155,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1800 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: 180,155,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraduodenal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 312 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: 180,155,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1640 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 53,1125,1957 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 75 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Behavioral - ataxia REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,1727,1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 242 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,1132,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 9950 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 53,1125,1957 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 358 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,1172,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 118 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,1172,1990

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302
• 警示性声明: P301 + P312 + P330
• 危害码 (欧洲): Xn,N
• 风险声明 (欧洲): 22-50/53
• 安全声明 (欧洲): 36-60-61
• 危险品运输编码: UN 3077 9/PG 3
• RTECS号: YM3720000

合成路线

74-83-9 51-55-8 ~% 2870-71-5

文献：Malpass American Journal of Pharmacy and the Sciences Supporting Public Health (1937-1978), 1951 , vol. 123, p. 5,8

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