17692-51-2

• 常用中文名：甲麦角林
• 常用英文名：Metergoline
• CAS号：17692-51-2
• 分子式：C₂₅H₂₉N₃O₂
• 分子量：403.51700
• 相关类别： 原料药 激素及调节内分泌功能类药 垂体激素类药
• 发布时间：2018-07-05 18:30:31
• 更新时间：2024-01-08 20:00:30
• Metergoline是一种麦角灵化学类的精神药物,常用作各种血清素和多巴胺受体的配体。

名称

• 中文名: 甲麦角林
• 英文名: metergoline
• 中文别名: 美塔可宁
• 英文别名: Metergoline,[(8β)-1,6-Dimethylergolin-8-yl)methyl]carbamicacidphenylmethylester; EINECS 241-686-3; MFCD00153829

物化性质

• 密度: 1.25g/cm3
• 沸点: 612.5ºC at 760mmHg
• 熔点: 148-150 °C(lit.)
• 分子式: C₂₅H₂₉N₃O₂
• 分子量: 403.51700
• 闪点: 324.2ºC
• 精确质量: 403.22600
• PSA: 46.50000
• LogP: 4.39350
• 蒸汽压: 0mmHg at 25°C
• 储存条件: −20°C
• 水溶解性: 0.1 M HCl: 1.4 mg/mL
• 分子结构:

  1、 摩尔折射率：117.85

  2、 摩尔体积（m³/mol）：320.5

  3、 等张比容（90.2K）：843.4

  4、 表面张力（dyne/cm）：47.9

  5、 极化率（10^-24cm³）：46.72

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：3.8

  2、 氢键供体数量：1

  3、 氢键受体数量：3

  4、 可旋转化学键数量：5

  5、 互变异构体数量：2

  6、 拓扑分子极性表面积（TPSA）：46.5

  7、 重原子数量：30

  8、 表面电荷：0

  9、 复杂度：607

  10、 同位素原子数量：0

  11、 确定原子立构中心数量：3

  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：1

• 更多:

  1. 性状：不确定

  2. 密度（g/mL,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：148-150(lit.)

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC, 5.2kPa）：不确定

  7. 折射率：不确定

  8. 闪点（ºC）：不确定

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性： 0.1 M HCl: 1.4mg/mL

生物活性

• 描述: Metergoline是一种麦角灵化学类的精神药物,常用作各种血清素和多巴胺受体的配体。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 5-HT受体
  信号通路 >> 神经信号通路 >> 5-HT受体
  研究领域 >> 神经疾病

MSDS

Name: Metergoline Material Safety Data Sheet Synonym: CAS: 17692-51-2 Section 1 - Chemical Product MSDS Name:Metergoline Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 17692-51-2 Metergoline 241-686-3 Hazard Symbols: XN Risk Phrases: 20/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation and if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be absorbed through the skin in harmful amounts. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. May cause respiratory tract irritation. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: 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. Ingestion: Get medical aid. Wash mouth out with 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. 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 water spray, dry chemical, carbon dioxide, or chemical foam. 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: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a tightly closed container. Store in a dry area. Deep freeze (below -20C). Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 17692-51-2: 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: Crystalline powder Color: white Odor: odorless pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 148 deg C(decom) Autoignition Temperature: 466 deg C ( 870.80 deg F) Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: 150 deg C Solubility in water: hardly soluble Specific Gravity/Density: 0.560 Molecular Formula: C25H29N3O2 Molecular Weight: 403.53 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, direct sunlight.. Incompatibilities with Other Materials: Strong oxidizing agents, strong acids, strong bases. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 17692-51-2: FA1070000 LD50/LC50: CAS# 17692-51-2: Oral, mouse: LD50 = 430 mg/kg. Carcinogenicity: Metergoline - 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: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/22 Harmful by inhalation and if swallowed. Safety Phrases: S 7/9 Keep container tightly closed and in a well-ventilated place. S 23 Do not inhale gas/fumes/vapour/spray. WGK (Water Danger/Protection) CAS# 17692-51-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 17692-51-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 17692-51-2 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：小鼠口经LD50：430 mg/kg；小鼠腹腔LD50：85 mg/kg；小鼠静脉LD50：21200 ug/kg；兔子静脉LD50：20 mg/kg CHEMICAL IDENTIFICATION RTECS NUMBER : FA1070000 CHEMICAL NAME : Carbamic acid, (((8-beta)-1,6-dimethylergolin-8-yl)methyl)-, benzyl ester CAS REGISTRY NUMBER : 17692-51-2 LAST UPDATED : 199703 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C25-H29-N3-O2 MOLECULAR WEIGHT : 403.57 WISWESSER LINE NOTATION : T C6656 1A P GN LNTT&&J E1MVO1R& G1 L1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 430 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736) V.1- 1869- Volume(issue)/page/year: 207,421,1965 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 85 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736) V.1- 1869- Volume(issue)/page/year: 207,421,1965 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 21200 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4176182 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 20 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736) V.1- 1869- Volume(issue)/page/year: 207,421,1965 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 1200 ug/kg SEX/DURATION : lactating female 5 day(s) post-birth TOXIC EFFECTS : Reproductive - Maternal Effects - postpartum Reproductive - Maternal Effects - other effects REFERENCE : OBGNAS Obstetrics and Gynecology. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1953- Volume(issue)/page/year: 51,113,1978

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302-H312-H332
• 警示性声明: P280
• 个人防护装备: dust mask type N95 (US);Eyeshields;Faceshields;Gloves
• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S36
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• RTECS号: FA1070000