51-56-9

• 常用中文名：氢溴酸后马托品
• 常用英文名：Homatropine (Bromide)
• CAS号：51-56-9
• 分子式：C₁₆H₂₂BrNO₃
• 分子量：356.25500
• 相关类别： 医药中间体 杂环化合物 嘧啶类化合物 碘嘧啶
• 发布时间：2018-02-09 08:00:00
• 更新时间：2024-01-02 10:47:09
• 溴化Homatropine是毒蕈碱受体AChR拮抗剂。

名称

• 中文名: 氢溴酸后马托品
• 英文名: alpha-Hydroxybenzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester hydrobromide
• 中文别名: 后马托品氢溴酸盐
• 英文别名: EINECS 200-105-3; α-Hydroxybenzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester hydrobromide; Homatropine hydrobromide; DL-Homatropine hydrobromide; (1R,3r,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2-phenylacetate hydrobromide; endo-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2-phenylacetate hydrobromide; MFCD00012676; Homatropine (Bromide)

物化性质

• 密度: 1.21g/cm3
• 沸点: 434.9ºC at 760 mmHg
• 熔点: 214-217 °C
• 分子式: C₁₆H₂₂BrNO₃
• 分子量: 356.25500
• 闪点: 216.8ºC
• 精确质量: 355.07800
• PSA: 49.77000
• LogP: 2.78440
• 外观性状: 无色或白色粉末像溴一样的气味
• 储存条件:

  应密封干燥避光保存。

• 水溶解性: soluble
• 分子结构:

  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

• 更多:

  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。

生物活性

• 描述: 溴化Homatropine是毒蕈碱受体AChR拮抗剂。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 由mAChR
  信号通路 >> 神经信号通路 >> mAChR
  研究领域 >> 神经疾病
• 参考文献:

  [1]. Leung, E. and F. Mitchelson, Modification by hexamethonium of the muscarinic receptors blocking activity of pancuronium and homatropine in isolated tissues of the guinea-pig. Eur J Pharmacol, 1982. 80(1): p. 11-7.

  [2]. Gilani, S.A. and L.B. Cobbin, Interaction of himbacine with carbachol at muscarinic receptors of heart and smooth muscle. Arch Int Pharmacodyn Ther, 1987. 290(1): p. 46-53.

  [3]. Cramer, M.B., L.A. Cates, and D.E. Clarke, Rectal absorption of homatropine [14C]methylbromide in the rat. J Pharm Pharmacol, 1978. 30(5): p. 284-6.

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-(+-) 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

毒性和生态

毒理学数据: 1、急性毒性：；大鼠腹腔LD50：154mg/kg；小鼠静脉LD50：107mg/kg 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)

安全

• 危害码 (欧洲): T:Toxic;
• 风险声明 (欧洲): R23/24/25
• 安全声明 (欧洲): S45-S24/25-S22
• 危险品运输编码: 1544
• RTECS号: YM5602000
• 包装等级: I; II; III
• 危险类别: 6.1
• 海关编码: 2933990090

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海关

海关编码	2933990090
中文概述	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%
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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%