Scopolamine butylbromide 丁溴东莨菪碱
CAS 149-64-4 MFCD00078561
化学结构图
SMILES: CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.[Br-]
化学属性
| Mol. Formula | C21H30BrNO4 |
|---|---|
| Mol. Weight | 440.38 g/mol |
| Melting Point | 142-1440C |
| Solubility | H2O: 50 mg/mL |
| Appearance | powder |
| Density | |
| Boiling Point |
别名和识别编码
| Chemical Name | N-Butylscopolammonium Bromide |
|---|---|
| CAS Number | 149-64-4 |
| Synonym | (-)-N-BUTYLSCOPOLAMIDE BROMIDE (-)-N-BUTYLSCOPOLAMINE BROMIDE (-)-N-Butylscopolamine bromid (-)-N-Butylscopolamine bromide Hyoscine N-butyl bromide (-)-N-Butylscopolamine bromide; Hyoscine N-butyl bromide (-)-SCOPOLAMINE N-BUTYL BROMIDE 5-alpha-h-tropanium,8-butyl-6-beta,7-beta-epoxy-3-alpha-hydroxy-1-alpha-br 7(S)-(1?,2?,4?,5?,7?)]-9-Butyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane Bromide Amisepan BUTYLMIN Bromide, Butylscopolammonium Bromide, N-Butylscopolammonium Bu Buscapina Buscapine Buscol Buscolamin Buscolysin Buscolysine Buscopan Butylscopolamine Butylscopolammonium Bromide Hyoscinbutylbromide Hyoscine N Butylbromide Hyoscine N-Butylbr |
| MDL Number | MFCD00078561 |
| PubChem Substance ID | 6852391 |
| EC Number | 205-744-1 |
| Chemical Name Translation | 丁溴东莨菪碱 |
| Wiswesser Line Notation | T C356 A AK DOTJ A4 A1 HOVYR&1Q &E |
| InChI | InChI=1S/C21H30NO4.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1/t15?,16-,17-,18+,19-,20+,22?;/m1./s1 |
| LabNetwork Molecule ID | LN01377985 |
| Beilstein Registry Number |
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分类
- Antagonists, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, Cholinergics, Neuroscience, Neurotransmission, Neurotransmitters, S
- {SNA} Antagonists, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, Cholinergics, Neuroscience, Neurotransmission,
- {SNA} Antagonists, Bioactive Small Molecule Alphabetical Index, Cholinergics, Neuroscience, Neurotransmission, Neurotransmitters, S, 生物活性小分子, 细胞信号转导和神经科学, 细胞生物学
产品应用
- Anticholinergic. Antispasmodic.
相关文献及参考
- Lee, J.R., et al.: Clin. Radiol., 33, 273 (1982),
- Bauer, et al.: Arzneim.-Forsch., 18, 1132 (1986),
- Steger, A.C., et al.: Am. J. Gastroenterol., 81, 615 (1986),
- Lim, S., et al., Expression of muscarinic receptor subtypes in rat gastric smooth muscle: effect of M3 selective antagonist on gastric motility and emptying. Dig. Dis. Sci. 42 , 907-914, (1997) 摘要
- Kurahashi, K., et al., Inhibitory effects of various spasmolytics on the vagal afferent gastric excitatory response in cats. Life Sci. 61 , 831-838, (1997) 摘要
- Baistrocchi. R., et al., Comparison of the isolated human and guinea pig gallbladder strip models in the assessment of antispasmodic drugs. Methods Find. Exp. Clin. Pharmacol. 21 , 659-662, (1999) 摘要
- Merck 14 ,1588
安全信息
GHS Symbol
- H302 Harmful if swallowed 吞食有害
- H332 Harmful if inhaled 吸入有害
- R22 Harmful if swallowed 吞咽有害
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraduodenal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 180 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
{hazard_comTYPE OF TEST : LD50 - Lethal do
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 65 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4558054
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 243 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23, 1978-88. For publisher information, see ZYZAEU. Volume(issue)/page/year: 18,217,1983
TYPE OF TEST : LD50
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1170 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold REFERENCE : THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 14,1096,1959
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- P301+P317
- P304+P340
- P317
- P330 Rinse mouth. 漱口
- P501 Dispose of contents/container to..… 处理内容物/容器.....
其他信息
- 类别:有毒物质
- 毒性分级:中毒
- 急性毒性:口服- 大鼠 LD50 1040 毫克/ 公斤; 口服- 小鼠 LD50: 1170 毫克/公斤
- MSDS 信息:Hyoscine N-butyl bromide(149-64-4).msds
- color:white
- 可燃性危险特性:可燃, 燃烧时分解有毒氮氧化物, 溴化物气体
- MOL 文件:149-64-4.mol
- 灭火剂:水, 二氧化碳, 干粉, 砂土
- 储运特性:库房低温, 通风, 干燥
- Sigma Aldrich:149-64-4(sigmaaldrich)
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