N-Butylscopolammonium Bromide 丁溴东莨菪碱

CAS 149-64-4 MFCD00078561

化学结构图

149-64-4
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. FormulaC21H30BrNO4
Mol. Weight440.38 g/mol
Melting Point142-1440C
SolubilityH2O: 50 mg/mL
Appearance powder
Density
Boiling Point

别名和识别编码

Chemical NameN-Butylscopolammonium Bromide
CAS Number149-64-4
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00078561
PubChem Substance ID6852391
EC Number205-744-1
Chemical Name Translation丁溴东莨菪碱
Wiswesser Line NotationT C356 A AK DOTJ A4 A1 HOVYR&1Q &E
InChIInChI=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 IDLN01377985
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
WGK Germany1
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Hazard Codes Xn
RTECSYM3500000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Risk Statements
  • 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_com

TYPE 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

UN Number
Safety Statements
Precautionary statements

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)

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Neuroscience - Cell Signaling and Neuroscience
  5. Neurotransmission - Neuroscience
  6. Neurotransmitters - Neurotransmission
  7. Cholinergics - Neurotransmitters
  8. Antagonists - Cholinergics
  1. Functional Group 官能团索引
  2. quaternary ammonium salt

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