81012-87-5

• 常用中文名：三磷酸胞苷二钠
• 常用英文名：CTP disodium dihydrate
• CAS号：81012-87-5
• 分子式：C₉H₁₈N₃Na₂O₁₆P₃
• 分子量：563.151
• 相关类别： 生物化工 核酸类药
• 发布时间：2018-06-18 19:08:22
• 更新时间：2024-01-10 19:54:33
• 【用途一】
  用于脑振荡及其后遗症、植物神经紊乱、神经官能症、脂肪肝、肝炎等病症的治疗

名称

• 中文名: 胞苷-5'-三磷酸二钠盐(二水)
• 英文名: Cytidine-5'-triphosphate disodium salt dihydrate
• 中文别名: 胞苷-5‘-三磷酸二钠盐; 三磷酸胞苷二钠; 胞苷-5’-三磷酸二钠盐(二水)
• 英文别名: CTP,100mM Solution; CYTIDINE 5'-TRIPHOSPHATE TETRASODIUM; CYTIDINE DISODIUM TRIPHOSPHATE; CTP DISODIUM SALT DIHYDRATE; CTP(Cytidine Triphosphate DisodiuM); ctp-na2; 5-CTP-NA2; MFCD00150807; EINECS 252-849-3; 5-CTP-NA2 DIHYDRATE; N-(cyclohexylthio)phthlimide; Cytidine, 5'-(tetrahydrogen triphosphate), sodium salt, hydrate (1:2:2); Sodium 5'-O-({[(phosphonooxy)phosphinato]oxy}phosphinato)cytidine hydrate (2:1:2); CTP

物化性质

• 沸点: 849.2ºC at 760 mmHg
• 熔点: 215-218 °C
• 分子式: C₉H₁₈N₃Na₂O₁₆P₃
• 分子量: 563.151
• 闪点: >230 °F
• 精确质量: 562.969543
• PSA: 323.97000
• 外观性状: 白色结晶粉末
• 储存条件:

  -20°C冷藏、干燥、密闭处

• 稳定性:

  按规定使用和贮存的不会分解，避氧化物

• 水溶解性: H2O: 50 mg/mL, clear, colorless
• 计算化学:

  1、 疏水参数计算参考值（XlogP）：-5.9

  2、 氢键供体数量：3

  3、 氢键受体数量：15

  4、 可旋转化学键数量：7

  5、 互变异构体数量：3

  6、 拓扑分子极性表面积（TPSA）：280

  7、 重原子数量： 29

  8、 表面电荷：-4

  9、 复杂度：827

  10、同位素原子数量：0

  11、确定原子立构中心数量：4

  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：液体

  2. 密度（g/mL20 ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：215-218

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC0.35mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（º F）：>230

  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,）：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（正辛醇/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：H2O: 50 mg/mL,（无色透明）,在水中易溶，在乙醚、氯仿等有机溶剂中极微溶解。

MSDS

Name: Cytidine 5 -Triphosphate Disodium Salt Dihydrate Material Safety Data Sheet Synonym: None CAS: 81012-87-5 Section 1 - Chemical Product MSDS Name:Cytidine 5 -Triphosphate Disodium Salt Dihydrate Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 81012-87-5 Cytidine 5'-Triphosphate, Disodium Sal ca 100 unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. The toxicological properties of this material have not been fully investigated. Skin: May cause skin irritation. The toxicological properties of this material have not been fully investigated. 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: 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. 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. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. 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. Deep freeze (below -20C). Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 81012-87-5: 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: 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: Solid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 215.00 - 218.00 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: Specific Gravity/Density: Molecular Formula: C9H14N3O14P3Na2.2H2O Molecular Weight: 563.15 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, oxides of phosphorus, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 81012-87-5 unlisted. LD50/LC50: Not available. Carcinogenicity: Cytidine 5'-Triphosphate, Disodium Salt Dihydrate - Not listed by ACGIH, IARC, or NTP. 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 3 Keep in a cool place. 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# 81012-87-5: 1 Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 81012-87-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 81012-87-5 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 个人防护装备: Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)
• 危害码 (欧洲): Xn,Xi
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S24/25
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3

制备