氢溴酸后马托品

氢溴酸后马托品 基本信息
CAS号 51-56-9 分子式 C16H21NO3.BrH
分子量 356.26042 精确质量  355.07831
PSA  49.77000 LogP  2.78440

基本信息 展开↓

CAS号:
51-56-9
3D弹球模型:
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分子式:
C16H21NO3.BrH
分子量:
356.26042
中文名称:
氢溴酸后马托品
英文名称:
Benzeneacetic acid, α-hydroxy-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrobromide (1:1)
中文别名:
氢溴酸后马托品;
后马托品氢溴酸盐
英文别名:
Benzeneacetic acid, α-hydroxy-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrobromide (1:1);
1αH,5αH-Tropan-3α-ol, mandelate (ester), hydrobromide (8CI);
Benzeneacetic acid, α-hydroxy-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrobromide (9CI);
Benzeneacetic acid, α-hydroxy-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrobromide, endo-;
(±)-Homatropine bromide;
Homatropine bromide;
Homatropine hydrobromide;
Isopto Homatropine;
Mandelic acid tropine ester hydrobromide
精确分子量/精确质量:
355.07831
极性分子表面积/PSA:
49.77000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00012676
EINECS:
200-105-3
InChI:
InChI:1S/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H

生产制备方法及用途展开↓

制备方法


本品为合成的抗胆碱药,具有阻断乙酰胆碱的作用,使瞳孔括约肌和睫状肌麻痹引起散瞳和调节麻痹,比阿托品效力快而弱,适用于眼科检查和验光。

用途简介


用途


 

本品为合成的抗胆碱药,具有阻断乙酰胆碱的作用,使瞳孔括约肌和睫状肌麻痹引起散瞳和调节麻痹,比阿托品效力快而弱,适用于眼科检查和验光。

 

物化性质展开↓

外观与性状:
无色或白色粉末像溴一样的气味
密度:
1.21g/cm3
熔点:
214-217 °C
沸点:
434.9ºC at 760 mmHg
闪点:
216.8ºC
水溶解性:
soluble
存储条件/存储方法:

应密封干燥避光保存。

其它信息:

1.       性状:白色正交双锥体棱柱状结晶或粉末。无气味。味极苦。

2.       密度(g/mL,25/4℃): 未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):  212(部分分解)

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度(º): 未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:  1g产品溶于6ml水、40ml乙醇、420ml氯仿,不溶于乙醚。其溶解度随温度升高而降低。

安全信息展开↓

包装等级:
I; II; III
风险类别:
6.1
海关代码:
2933990090
危险类别码:
R23/24/25
安全说明:
S45-S24/25-S22
RTECS号:
YM5602000
危险标志:
T:Toxic;

化学图谱

  1. DL-后马托品氢溴酸盐红外图谱(IR1)

  2. DL-后马托品氢溴酸盐红外图谱(IR2)

  3. DL-后马托品氢溴酸盐核磁图(13CNMR)

  4. DL-后马托品氢溴酸盐核磁图(1HNMR)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YM5602000
CHEMICAL NAME :
1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, mandelate (ester), hydrobromide
CAS REGISTRY NUMBER :
51-56-9
LAST UPDATED :
199709
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C16-H21-N-O3.Br-H
MOLECULAR WEIGHT :
356.30
WISWESSER LINE NOTATION :
T56 A ANTJ A1 GOVYQR &EH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
154 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: 6,789,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
107 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 96,1,1949 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M4753 No. of Facilities: 86 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 3286 (estimated) No. of Female Employees: 2698 (estimated)
毒理学数据:

1、急性毒性:;大鼠腹腔LD50:154mg/kg;小鼠静脉LD50:107mg/kg

MSDS 展开↓

Name: DL-Homatropine Hydrobromide 98.5-100.5% (on Dry Subst.) Material Safety Data Sheet
Synonym: Benzeneacetic Acid, Alpha-Hydroxy-; 8-Methyl-8-Azabicyclo(3.2.1)oct-3-yl Ester, HBr, Endo-(+-)
CAS: 51-56-9
Section 1 - Chemical Product   MSDS Name:DL-Homatropine Hydrobromide 98.5-100.5% (on Dry Subst.) Material Safety Data Sheet
Synonym:Benzeneacetic Acid, Alpha-Hydroxy-; 8-Methyl-8-Azabicyclo(3.2.1)oct-3-yl Ester, HBr, Endo-(+-)

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
51-56-9 DL-Homatropine Hydrobromide >98.5 200-105-3
Hazard Symbols: T
Risk Phrases: 23/24/25

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Containers may explode when heated. Non-combustible, substance itself does not burn but may decompose upon heating to produce irritating, corrosive and/or toxic fumes.
Extinguishing Media:
Do NOT get water inside containers. Do NOT use straight streams of water. For small fires, use dry chemical, carbon dioxide, or water spray. For large fires, use water spray, fog or regular foam. Cool containers with flooding quantities of water until well after fire is out.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Avoid runoff into storm sewers and ditches which lead to waterways.
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 51-56-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: colorless or white
Odor: bromine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 212.00 - 214.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble
Specific Gravity/Density:
Molecular Formula: C16H21NO3.HBr
Molecular Weight: 356.26

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen bromide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 51-56-9: YM5602000 LD50/LC50:
Not available.
Carcinogenicity:
DL-Homatropine Hydrobromide - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: ALKALOID SALTS, SOLID, N.O.S.*
Hazard Class: 6.1
UN Number: 1544
Packing Group: II
IMO
Shipping Name: ALKALOIDS, SOLID, N.O.S.
Hazard Class: 6.1
UN Number: 1544
Packing Group: II
RID/ADR
Shipping Name: ALKALOID SALTS, SOLID, N.O.S.
Hazard Class: 6.1
UN Number: 1544
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 51-56-9: 3
Canada
CAS# 51-56-9 is listed on Canada's NDSL List.
CAS# 51-56-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51-56-9 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

分子结构数据


1、  摩尔折射率:76.15

2、  摩尔体积(cm3/mol):226.1

3、  等张比容(90.2K):606.0

4、  表面张力(dyne/cm):51.5

5、  极化率(10-24cm3):30.19

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