中文名 | 甲麦角林 |
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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 |
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。 |
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相关类别 |
密度 | 1.25g/cm3 |
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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 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
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
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
符号 |
GHS07 |
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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 |