CAS 2870-71-5 MFCD00050293-Endo-3-((3-Hydroxy-2-Phenylpropanoyl)Oxy)-8,8-Dimethyl-8-Azabicyclo[3.2.1]Octan-8-Ium Bromide endo-3-((3-羟基-2-苯基丙酰基)氧基)-8,8-二甲基-8-氮杂双环[3.2.1]辛烷-8-鎓溴化物 TAO{mole}

Endo-3-((3-Hydroxy-2-Phenylpropanoyl)Oxy)-8,8-Dimethyl-8-Azabicyclo[3.2.1]Octan-8-Ium Bromide endo-3-((3-羟基-2-苯基丙酰基)氧基)-8,8-二甲基-8-氮杂双环[3.2.1]辛烷-8-鎓溴化物

CAS 2870-71-5 MFCD00050293

化学结构图

SMILES: C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.[Br-]

化学属性

Mol. Formula	C₁₈H₂₆BrNO₃
Mol. Weight	384.31
Melting Point	215-217°C
Boiling Point

别名和识别编码

Chemical Name	Endo-3-((3-Hydroxy-2-Phenylpropanoyl)Oxy)-8,8-Dimethyl-8-Azabicyclo[3.2.1]Octan-8-Ium Bromide
MDL Number	MFCD00050293
EC Number	220-700-1
Chemical Name Translation	endo-3-((3-羟基-2-苯基丙酰基)氧基)-8,8-二甲基-8-氮杂双环[3.2.1]辛烷-8-鎓溴化物
Synonym	,bromide,endo-(+/-)- 1-alpha-h,5-alpha-h-tropanium,3-alpha-hydroxy-8-methyl-,bromide,(+-)-tropate 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan 3-alpha-Hydroxy-8-methyl-1-alpha,5-alpha-H-tropanium bromide (+-)tropate 3-alpha-hydroxy-8-methyl-1-alpha,5-alpha-h-tropaniumbromide(+-)tropate 8-Methylatropinium bromide 8-methylatropiniumbromide ATROPINE METHYL BROMIDE ATROPINEMETHYLBROMIDE=N-METHYLATROPINIUMBROMIDE ATROSCINE Atropine Methylbromide EP/JP Atropine methobromide Atropine methylbromide DL-(SCOPOLAMINE HYDROBROMIDE) Hyoscyamine methylbromide Methylatropine Methylatropine bromide Methylatropinium bromide Mintussin Mydriasin N-METHYLATROPINIUM
CAS Number	2870-71-5
PubChem Substance ID	656597
InChI	InChI=1S/C18H26NO3.BrH/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;/h3-7,14-17,20H,8-12H2,1-2H3;1H/q+1;/p-1/t14-,15+,16?,17?;
LabNetwork Molecule ID	LN04700180

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安全信息

GHS Symbol

Hazard statements

H302 Harmful if swallowed 吞食有害

WGK Germany3

Signal word Warning

Hazard Codes Xn,N

Safety Statements

S36 Wear suitable protective clothing 穿戴适当的防护服；
S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；

RTECSYM3720000

Risk Statements

R22 Harmful if swallowed 吞咽有害
R50/53

UN Number UN 3077 9/PG 3

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURA

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-

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       : 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

TYPE OF TEST

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

Storage condition -20

其他信息

MOL 文件:2870-71-5.mol
Sigma Aldrich:2870-71-5(sigmaaldrich)