CAS 149-64-4 MFCD00078561-Scopolamine butylbromide 丁溴东莨菪碱 TAO{mole}

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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产品应用

Anticholinergic. Antispasmodic.

安全信息

GHS Symbol

WGK Germany1

Signal word Warning

Hazard statements

H302 Harmful if swallowed 吞食有害
H332 Harmful if inhaled 吸入有害

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

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)