943-17-9

• 常用中文名：盐酸依替福林
• 常用英文名：Efortil
• CAS号：943-17-9
• 分子式：C₁₀H₁₆ClNO₂
• 分子量：217.69
• 相关类别： 分析化学 标准品 药典标准品和杂志标准品
• 发布时间：2018-08-16 18:31:42
• 更新时间：2024-01-09 18:25:14
• 盐酸阿替勒林是一种口服活性α肾上腺素能激动剂。盐酸依替勒林也是AMPK激活剂。盐酸依替勒林可用于体位性低血压的研究[1][2][3][4]。

名称

• 中文名: 盐酸依替福林
• 英文名: 3-[2-(ethylamino)-1-hydroxyethyl]phenol,hydrochloride
• 中文别名: 4-羟基-alpha-((乙基氨基)甲基)-苄醇盐酸盐
• 英文别名: etilefrine hydrochloride; Effortil; α-[(Ethylamino)methyl]-3-hydroxybenzenemethanol hydrochloride; N-Ethyl-1-(m-hydroxyphenyl)-2-aminoethanol hydrochloride; 3-[2-(ethylamino)-1-hydroxyethyl]phenol hydrochloride; Thomasin; Benzenemethanol, α-[(ethylamino)methyl]-3-hydroxy-, hydrochloride (1:1); Effortil*HCl; EINECS 213-398-8; Etilefrin-HCl; 3-[2-(Ethylamino)-1-hydroxyethyl]phenol hydrochloride (1:1); Etilefrin dl-form hydrochloride; Cardanat; Etilefrine HCl; Effontil; Efortil; Circupon

物化性质

• 密度: 1.127g/cm3
• 沸点: 351.7ºC at 760 mmHg
• 熔点: 122ºC
• 分子式: C₁₀H₁₆ClNO₂
• 分子量: 217.69
• 闪点: 155.5ºC
• 精确质量: 217.086960
• PSA: 52.49000
• LogP: 2.22800
• 储存条件: 室温
• 水溶解性: Freely soluble in water, soluble in ethanol (96 per cent), practically insoluble in methylene chloride
• 分子结构:

  1、 摩尔折射率：52.08

  2、 摩尔体积（m³/mol）：160.7

  3、 等张比容（90.2K）：421.8

  4、 表面张力（dyne/cm）：47.3

  5、 极化率（10 ^-24cm ³）：20.64

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:4

  3.氢键受体数量:3

  4.可旋转化学键数量:4

  5.互变异构体数量:3

  6.拓扑分子极性表面积52.5

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:141

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:1

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:2

• 更多:

  1. 性状：未确定

  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）：122 °C

  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：未确定

生物活性

• 描述: 盐酸阿替勒林是一种口服活性α肾上腺素能激动剂。盐酸依替勒林也是AMPK激活剂。盐酸依替勒林可用于体位性低血压的研究[1][2][3][4]。
• 相关类别:
  信号通路 >> 表观遗传学 >> AMPK
  研究领域 >> 心血管疾病
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 肾上腺素能受体
  信号通路 >> PI3K/Akt/mTOR 信号通路 >> AMPK
• 参考文献:

  [1]. Sylvain Tollis, et al. Chemical Interrogation of Nuclear Size Identifies Compounds with Cancer Cell Line-Specific Effects on Migration and Invasion. ACS Chem Biol. 2022 Feb 24.

  [2]. Chi Xu, et al. Accurate Drug Repositioning through Non-tissue-Specific Core Signatures from Cancer Transcriptomes. Cell Rep. 2018 Oct 9;25(2):523-535.e5.

  [3]. R Yamazaki, et al. Effects of dihydroergotamine and Etilefrine on experimentally-induced postural hypotension in dogs. J Pharmacobiodyn. 1990 Sep;13(9):519-24.

  [4]. Bouaggad A, et al. The effect of oral etilefrine premedication on the incidence of hypotension during spinal anaesthesia. Eur J Anaesthesiol. 2000 Mar;17(3):177-81.

MSDS

Section I.Chemical Product and Company Identification Chemical Name Etilefrine Hydrochloride Portland OR Benzenemethanol, Synonym α-[(ethylamino)methyl]-3-hydroxy-hydrochloride (9CI) HOC6H4CH(OH)CH2NHCH2CH3•HCl Chemical Formula CAS Number943-17-9 Section II.Composition and Information on Ingredients Chemical NameCAS Number Percent (%)TLV/PELToxicology Data Etilefrine Hydrochloride943-17-9Min. Not available.Rat LD50 (intravenous) 5 mg/kg 98.0%(Tit.)Mouse LD50 (subcutaneous) 860 mg/kg Rat LDLO (oral) 187 mg/kg Section III. Hazards Identification Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death. Acute Health Effects Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. CARCINOGENIC EFFECTS : Not available. Chronic Health Effects MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Section IV.First Aid Measures Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical attention. Skin ContactIn case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention. If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or Inhalation waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not improve. INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. Ingestion Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material was ingested; the absence of such signs, however, is not conclusive. Section V.Fire and Explosion Data Auto-IgnitionNot available. FlammabilityMay be combustible at high temperature. Flash PointsFlammable LimitsNot available. Not available. Combustion ProductsThese products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2). WARNING: Highly toxic HCl gas is produced during combustion. Fire Hazards Not available. Explosion HazardsRisks of explosion of the product in presence of mechanical impact: Not available. Risks of explosion of the product in presence of static discharge: Not available. Fire Fighting Media SMALL FIRE: Use DRY chemical powder. and InstructionsLARGE FIRE: Use water spray, fog or foam. DO NOT use water jet. Consult with local fire authorities before attempting large scale fire-fighting operations. Continued on Next Page Etilefrine Hydrochloride Section VI.Accidental Release Measures Spill CleanupHarmful Material. Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any Instructions contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on disposal. Section VII. Handling and Storage Handling and StorageHARMFUL. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust. Information Always store away from incompatible compounds such as oxidizing agents. Section VIII. Exposure Controls/Personal Protection Engineering ControlsUse process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants below the exposure limit. Personal ProtectionSplash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent. Exposure LimitsNot available. Section IX. Physical and Chemical Properties Physical state @ 20°CSolid. (White Crystalline powder.)SolubilityNot available. Not available. Specific Gravity Molecular Weight217.69Partition CoefficientNot available. Boiling PointNot available.Vapor PressureNot applicable. Melting Point122°C (251.6°F)Vapor DensityNot available. Not available.VolatilityNot available. Refractive Index Not available. Critical TemperatureNot available.Odor Not available.Not available. ViscosityTaste Section X.Stability and Reactivity Data This material is stable if stored under proper conditions. (See Section VII for instructions) Stability Conditions of Instability Avoid excessive heat and light. Incompatibilities Reactive with oxidizing agents. Section XI. Toxicological Information RTECS NumberDO5618000 Routes of ExposureEye Contact. Ingestion. Inhalation. Rat LD50 (intravenous) 5 mg/kg Toxicity Data Mouse LD50 (subcutaneous) 860 mg/kg Rat LDLO (oral) 187 mg/kg CARCINOGENIC EFFECTS : Not available. Chronic Toxic Effects MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Acute Toxic EffectsHarmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Continued on Next Page Etilefrine Hydrochloride Section XII.Ecological Information EcotoxicityNot available. Not available. Environmental Fate Section XIII. Disposal Considerations Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a Waste Disposal combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section XIV. Transport Information DOT ClassificationNot a DOT controlled material (United States). Not applicable. PIN Number Proper Shipping Name Not applicable. Packing Group (PG)Not applicable. DOT Pictograms Section XV. Other Regulatory Information and Pictograms TSCA Chemical InventoryThis product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40 CFR 720.36 (C) for those products not on the inventory list: (EPA) (i) These products are supplied solely for use in research and development by or under the supervision of a technically qualified individual as defined in 40 CFR 720.0 et sec. (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be supplied on an MSDS sheet. WHMIS ClassificationNot available. (Canada) EINECS Number (EEC)Not available. EEC Risk StatementsR20/21/22- Harmful by inhalation, in contact with skin and if swallowed. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、急性毒性：小鼠口经LD50：345mg/kg；大鼠口经LD50：187mg/kg 2、急性毒性：小鼠静脉LD50：11mg/kg；大鼠静脉LD50：3mg/kg 3、急性毒性：小鼠皮下LD50：860mg/kg；大鼠皮下LD50：>420mg/kg CHEMICAL IDENTIFICATION RTECS NUMBER : DO5618000 CHEMICAL NAME : Benzyl alcohol, alpha-((ethylamino)methyl)-m-hydroxy-, hydrochloride CAS REGISTRY NUMBER : 943-17-9 LAST UPDATED : 199806 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C10-H15-N-O2.Cl-H MOLECULAR WEIGHT : 217.72 WISWESSER LINE NOTATION : QR CYQ1M2 &GH HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 187 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,413,1979 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >420 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: -,187,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 3 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: -,225,1995 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 345 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,413,1979 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 860 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: 6,115,1982 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 11 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,413,1979

安全

• 符号: GHS06
• 信号词: Danger
• 危害声明: H301-H319
• 警示性声明: Missing Phrase - N15.00950417-P305 + P351 + P338
• 危险品运输编码: UN 2811 6.1 / PGIII
• RTECS号: DO5618000
• 海关编码: 2922509090

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海关

海关编码	2922509090
中文概述	2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件：AB. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验
Summary	2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%