6018-19-5

• 常用中文名：对氨基水杨酸钠
• 常用英文名：Sodium 4-aminosalicylate dihydrate
• CAS号：6018-19-5
• 分子式：C₇H₁₀NNaO₅
• 分子量：211.148
• 相关类别： 原料药 人工合成抗感染类药 抗结核麻风分支杆菌类药
• 发布时间：2018-02-25 08:00:00
• 更新时间：2024-01-02 15:02:19
• Sodium 4-aminosalicylate dihydrate 是一抗耐药性结核化合物。

名称

• 中文名: 对氨基水杨酸钠
• 英文名: Sodium 4-aminosalicylate dihydrate
• 中文别名: 4-氨基水杨酸钠盐; 4-氨基-2-羟基苯甲酸钠盐; 4-氨基-2-羟基苯甲酸钠二水化合物; 4-氨基水杨酸钠二水合物; 阿地溴铵
• 英文别名: Sodium 4-Aminosalicylate; EINECS 205-091-2; 4-amino-2-hydroxybenzoic acid sodium salt dihydrate; Benzoic acid, 4-amino-2-hydroxy-, monosodium salt, dihydrate; Benzoic acid, 4-amino-2-hydroxy-, sodium salt, hydrate (1:1:2); 4-Aminosalicylic acid sodium salt dihydrate; AMINOSALICYLATE SODIUM,DIHYDRATE; 4-AMINOSALICYLIC ACID,NA SALT; Sodium 4-amino-2-hydroxybenzoate dihydrate; 4-AMINOSALICYLIC ACID SODIUM SALT 2-HYDRATE; 4-Amino-2-hydroxy-benzoesaeure,Natrium-Salz; 4-AMINOSALICYLIC ACID SODIUM DIHYDRATE; sodium p-aminosalicylate dihydrate; SODIUM AMINOSALICYLA; 4-amino-2-hydroxy-benzoic acid,sodium-salt; 4-amino-salicylic acid sodium salt; AMINOSALICYLATESODIUM,DIHYDRATE,USP; UNII-S38B9W6AXW; PAS-NA 2H2O; Sodium 4-aminosalicy; MFCD00151044; Sodium 4-amino-2-hydroxybenzoate hydrate (1:1:2)

物化性质

• 沸点: 380.8ºC at 760 mmHg
• 熔点: 250 °C
• 分子式: C₇H₁₀NNaO₅
• 分子量: 211.148
• 闪点: 184.1ºC
• 精确质量: 211.045670
• PSA: 104.84000
• 外观性状: 白色至米色细结晶粉末
• 储存条件:

  避光，阴凉干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 水溶解性: soluble
• 计算化学:

  1、 疏水参数计算参考值（XlogP）：

  2、 氢键供体数量：4

  3、 氢键受体数量：6

  4、 可旋转化学键数量：1

  5、 互变异构体数量：12

  6、 拓扑分子极性表面积（TPSA）：88.4

  7、 重原子数量：14

  8、 表面电荷：0

  9、 复杂度：165

  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：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：4

• 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）：250

  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: Sodium 4-aminosalicylate dihydrate 是一抗耐药性结核化合物。
• 相关类别:
  信号通路 >> 抗感染 >> 细菌
  研究领域 >> 感染
• 参考文献:

  [1]. Zheng J, et al. para-Aminosalicylic acid is a prodrug targeting dihydrofolate reductase in Mycobacterium tuberculosis. J Biol Chem. 2013 Aug 9;288(32):23447-56.

  [2]. Sy SK, et al. N-acetyltransferase genotypes and the pharmacokinetics and tolerability of para-aminosalicylic acid in drug-resistant pulmonary tuberculosis patients. Antimicrob Agents Chemother. 2015 May 11. pii: AAC.04049-14.

MSDS

Name: 4-Aminosalicylic Acid Sodium Salt Dihydrate 98% Material Safety Data Sheet Synonym: PAS; 4-Amino-2-Hydroxybenzoic Acid CAS: 6018-19-5 Section 1 - Chemical Product MSDS Name:4-Aminosalicylic Acid Sodium Salt Dihydrate 98% Material Safety Data Sheet Synonym:PAS; 4-Amino-2-Hydroxybenzoic Acid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 6018-19-5 4-Aminosalicylic Acid Sodium Salt Dihy 98% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.Light sensitive.Air sensitive. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause liver damage. Inhalation: Causes respiratory tract irritation. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. Chronic exposure may cause liver 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. 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: Treat symptomatically and supportively. 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. Place under an inert atmosphere. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Store protected from light. Handle under an inert atmosphere. Store protected from air. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store protected from light. Store under an inert atmosphere. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 6018-19-5: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystals Color: white Odor: Odorless or slight acetous pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 250 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: > 250 deg C Solubility in water: soluble Specific Gravity/Density: >1.0 Molecular Formula: C7H6NO3Na.2H2O Molecular Weight: 211.15 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, light, dust generation, exposure to air, excess heat. Incompatibilities with Other Materials: Air, strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 6018-19-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Aminosalicylic Acid Sodium 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: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 6018-19-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 6018-19-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 6018-19-5 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

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境.

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2918219000

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%