63238-67-5

• 常用中文名：苯甲酰新乌头原碱
• 常用英文名：Benzoylmesaconine
• CAS号：63238-67-5
• 分子式：C₃₁H₄₃NO₁₀
• 分子量：589.674
• 相关类别： 生物化工 植物提取物
• 发布时间：2018-06-28 11:15:23
• 更新时间：2024-01-02 11:39:25
• Benzoylmesaconine是乌头汤最丰富的组分,乌头汤对类风湿性关节炎的治疗效果在中国广泛使用。

名称

• 中文名: 苯甲酰新乌头原碱
• 英文名: Benzoylmesaconine
• 英文别名: Benzoylmesaconitine; (1α,3α,6α,14α,15α,16β)-3,8,13,15-Tetrahydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate; O8-Deacetylmesaconitine; Mesaconine 14-benzoate; 8-Deacetylmesaconitine; Benzoylmesaconine; Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 14-benzoate, (1α,3α,6α,14α,15α,16β)-

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 703.2±60.0 °C at 760 mmHg
• 分子式: C₃₁H₄₃NO₁₀
• 分子量: 589.674
• 闪点: 379.1±32.9 °C
• 精确质量: 589.288696
• PSA: 147.38000
• LogP: 0.37
• 蒸汽压: 0.0±2.3 mmHg at 25°C
• 折射率: 1.637
• 储存条件: 2~8℃

生物活性

• 描述: Benzoylmesaconine是乌头汤最丰富的组分,乌头汤对类风湿性关节炎的治疗效果在中国广泛使用。
• 相关类别:
  信号通路 >> 其他 >> 其他
  天然产物 >> 生物碱
  研究领域 >> 其他
• 参考文献:

  [1]. Dai PM, et al. Pharmacokinetic comparisons of benzoylmesaconine in rats using ultra-performance liquid chromatography-tandem mass spectrometry after administration of pure benzoylmesaconine and Wutou decoction. Molecules. 2014 Oct 17;19(10):16757-69.

  [2]. Ye L, et al. Monoester-Diterpene Aconitum Alkaloid Metabolism in Human Liver Microsomes: Predominant Role of CYP3A4 and CYP3A5. Evid Based Complement Alternat Med. 2013;2013:941093.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : AR5562770 CHEMICAL NAME : Aconitane-3,8,13,14,15-pentol, 4-(methoxymethyl)-20-methyl-1,6,16-trimethoxy-, 14-benzoate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)- CAS REGISTRY NUMBER : 63238-67-5 BEILSTEIN REFERENCE NO. : 0072534 LAST UPDATED : 199612 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C31-H43-N-O10 MOLECULAR WEIGHT : 589.75 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 : 810 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 240 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 230 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 21 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JJTOEX Japanese Journal of Toxicology. (Yakugyo Jihosha, Hokushin Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo, 101, Japan) V.1- 1988- Volume(issue)/page/year: 2,225,1989

安全

• 危害码 (欧洲): Xi