134-64-5

• 常用中文名：硫酸洛贝林
• 常用英文名：Lobeline sulfate
• CAS号：134-64-5
• 分子式：C₄₄H₅₆N₂O₈S
• 分子量：772.98900
• 相关类别： 天然产物 生物碱
• 发布时间：2018-05-14 08:00:00
• 更新时间：2025-08-20 17:28:27
• Lobeline sulfate (α-Lobeline sulfate; L-Lobeline sulfate) 是一种非兴奋性试剂,可以改变大脑中多巴胺的吸收。 Lobeline sulfate (α-Lobeline sulfate; L-Lobeline sulfate) 可以抑制尼古丁引起的机能亢进并有助于有效戒烟。

名称

• 中文名: 硫酸山梗菜碱
• 英文名: lobeline sulfate
• 中文别名: 硫酸洛贝林; 洛贝林硫酸盐
• 英文别名: Lobeline sulfate; EINECS 205-151-8; MFCD00135592; 2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone,sulfuric acid

物化性质

• 密度: 1.085g/cm3
• 沸点: 485.6ºC at 760mmHg
• 熔点: 152-154 °C
• 分子式: C₄₄H₅₆N₂O₈S
• 分子量: 772.98900
• 闪点: 247.5ºC
• 精确质量: 772.37600
• PSA: 164.06000
• LogP: 8.77580
• 外观性状: 白色粉末
• 蒸汽压: 3.05E-10mmHg at 25°C
• 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:10

  4.可旋转化学键数量:12

  5.互变异构体数量:3

  6.拓扑分子极性表面积164

  7.重原子数量:55

  8.表面电荷:0

  9.复杂度:494

  10.同位素原子数量:0

  11.确定原子立构中心数量:6

  12.不确定原子立构中心数量:0

  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:3

生物活性

• 描述: Lobeline sulfate (α-Lobeline sulfate; L-Lobeline sulfate) 是一种非兴奋性试剂,可以改变大脑中多巴胺的吸收。 Lobeline sulfate (α-Lobeline sulfate; L-Lobeline sulfate) 可以抑制尼古丁引起的机能亢进并有助于有效戒烟。
• 相关类别:
  研究领域 >> 神经疾病
• 靶点:

  IC50: endogenous metabolite[1]

• 参考文献:

  [1]. Robert J. Laffan, et al.EMETIC ACTION OF NICOTINE AND LOBELINE. Journal of Pharmacology and Experimental Therapeutics December 1957, 121 (4) 468-476

  [2]. https://mayoclinic.pure.elsevier.com/en/publications/a-smoking-cessation-trial-with-lobeline-sulfate-a-pilot-st

MSDS

Name: Lobeline sulfate 99% Material Safety Data Sheet Synonym: CAS: 134-64-5 Section 1 - Chemical Product MSDS Name:Lobeline sulfate 99% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 134-64-5 Lobeline sulfate 99% 205-151-8 Hazard Symbols: T Risk Phrases: 23/24/25 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Toxic by inhalation, in contact with skin and if swallowed.Hygroscopic (absorbs moisture from the air). Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Toxic in contact with skin. Ingestion: May cause irritation of the digestive tract. Poison by ingestion. Inhalation: May cause respiratory tract irritation. Toxic if inhaled. Chronic: Repeated exposure may cause central nervous system damage. 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 immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid immediately. Wash mouth out with water. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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. Extinguishing Media: Use carbon dioxide or dry chemical. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 134-64-5: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Powder Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 152-154 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: In about 30 parts H2O Specific Gravity/Density: Molecular Formula: C44H56N2O8S Molecular Weight: 773.01 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases, acid chlorides, acid anhydrides. Hazardous Decomposition Products: Hydrogen cyanide, sulfur dioxide, carbon monoxide, oxides of nitrogen, carbon dioxide, sulfuric acid, nitric acid. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 134-64-5: OJ8490170 LD50/LC50: Not available. Carcinogenicity: Lobeline sulfate - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Other No information available. Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: Alkaloid solid, N.O.S.* Hazard Class: 6.1 UN Number: 1544 Packing Group: III IMO Shipping Name: Alkaloid solid, N.O.S. Hazard Class: 6.1 UN Number: 1544 Packing Group: III RID/ADR No information available. 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 28A After contact with skin, wash immediately with plenty of water. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 38 In case of insufficient ventilation, wear suitable respiratory equipment. 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# 134-64-5: No information available. Canada CAS# 134-64-5 is listed on Canada's DSL List. CAS# 134-64-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 134-64-5 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 急性毒性数据： 小鼠腹腔LD50：55300ug/kg 鸽子皮下LDLo：54600ug/kg CHEMICAL IDENTIFICATION RTECS NUMBER : OJ8490170 CAS REGISTRY NUMBER : 134-64-5 LAST UPDATED : 198609 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C22-H27-N-O2.1/2H2-O4-S HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 55300 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : VHTODE Veterinary and Human Toxicology. (American College of Veterinary and Comparative Toxicology, Publication Office, Comparative Toxicology, Manhattan, KS 66506) V.19- 1977- Volume(issue)/page/year: 27,1,1985 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Bird - pigeon DOSE/DURATION : 54600 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FDWU** "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931 Volume(issue)/page/year: -,-,1931

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-S38-S36/37/39-S28A
• 危险品运输编码: 2811
• RTECS号: OJ8490170
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 2933399090

海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 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
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%