63-45-6

• 常用中文名：磷酸伯安喹
• 常用英文名：primaquine phosphate
• CAS号：63-45-6
• 分子式：C₁₅H₂₇N₃O₉P₂
• 分子量：455.337
• 相关类别： 原料药 抗寄生虫病药 抗疟药
• 发布时间：2018-08-26 12:52:11
• 更新时间：2024-01-03 09:25:02
• 【用途一】
  抗疟药，用于控制间日疟与三日疟的复发和恶性疟的传播。

名称

• 中文名: 磷酸伯安喹
• 英文名: Primaquine bisphosphate
• 中文别名: 磷酸伯氨喹
• 英文别名: 1,4-pentanediamine, N4-(6-methoxy-8-quinolinyl)-, phosphate (1:2); N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine phosphate (1:2); N-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine phosphate (1:2); EINECS 200-560-8; Primaquine phosphate; N-(6-Methoxyquinolin-8-yl)pentane-1,4-diamine phosphate (1:2); Primaquine diphosphate; 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine,phosphoric acid; Primaquine diphosphate salt; 1,4-Pentanediamine, N-(6-methoxy-8-quinolinyl)-, phosphate (1:2); primaquine bis(phosphate); MFCD00013166; Primaquine (Diphosphate)

物化性质

• 沸点: 451.1ºC at 760 mmHg
• 熔点: 205-206 °C (dec.)(lit.)
• 分子式: C₁₅H₂₇N₃O₉P₂
• 分子量: 455.337
• 闪点: 226.6ºC
• 精确质量: 455.122253
• PSA: 235.31000
• LogP: 1.69880
• 外观性状: 橙色粉末
• 储存条件:

  本品应密封保存。

• 稳定性: Stable. Incompatible with strong oxidizing agents.
• 水溶解性: moderately soluble
• 计算化学:

  1、 氢键供体数量：8

  2、 氢键受体数量：12

  3、 可旋转化学键数量：6

  4、 拓扑分子极性表面积（TPSA）：216

  5、 重原子数量：29

  6、 表面电荷：0

  7、 复杂度：312

  8、 同位素原子数量：0

  9、 确定原子立构中心数量：0

  10、 不确定原子立构中心数量：1

  11、 确定化学键立构中心数量：0

  12、 不确定化学键立构中心数量：0

  13、 共价键单元数量：3

• 更多:

  1. 性状：黄色结晶。

  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）：197～198

  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：中等程度溶于水。

生物活性

• 描述: Primaquine是一抗疟疾化合物。
• 相关类别:
  信号通路 >> 抗感染 >> 寄生物
  研究领域 >> 感染
• 参考文献:

  [1]. Ashley EA, et al. Primaquine: the risks and the benefits. Malar J. 2014 Nov 3;13:418.

  [2]. Rajgor DD, et al. Antirelapse Efficacy of Various Primaquine Regimens for Plasmodium vivax. Malar Res Treat. 2014;2014:347018.

  [3]. Hanboonkunupakarn B, et al. Open-label crossover study of primaquine and dihydroartemisinin-piperaquine pharmacokinetics in healthy adult thai subjects. Antimicrob Agents Chemother. 2014 Dec;58(12):7340-6.

MSDS

Name: Primaquine diphosphate 99+% Material Safety Data Sheet Synonym: 8-(4-Amino-1-methylbutylamino)-6-methoxyquinoline diphosphat CAS: 63-45-6 Section 1 - Chemical Product MSDS Name:Primaquine diphosphate 99+% Material Safety Data Sheet Synonym:8-(4-Amino-1-methylbutylamino)-6-methoxyquinoline diphosphat Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 63-45-6 Primaquine diphosphate 99+ 200-560-8 Hazard Symbols: T Risk Phrases: 25 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Toxic if swallowed. Potential Health Effects The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation. 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. Skin: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: 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. 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: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Sweep up, then place into a suitable container for disposal. Section 7 - HANDLING and STORAGE Handling: Not available. Storage: Not available. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Exposure Limits CAS# 63-45-6: Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible. Skin: Wear appropriate protective gloves and clothing to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin. Respirators: Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Powder Color: orange Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 205.00 - 206.00 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: C15H21N3O.2H3PO4 Molecular Weight: 455.34 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, phosphine, carbon monoxide, carbon dioxide, nitrogen. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 63-45-6: VA9660000 LD50/LC50: CAS# 63-45-6: Oral, mouse: LD50 = 68 mg/kg; Oral, rat: LD50 = 177 mg/kg. Carcinogenicity: Primaquine diphosphate - 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: T Risk Phrases: R 25 Toxic if swallowed. Safety Phrases: S 22 Do not breathe dust. WGK (Water Danger/Protection) CAS# 63-45-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 63-45-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 63-45-6 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：大鼠口经LD50： 177 mg/kg；小鼠口经LD50：68 mg/kg；小鼠腹腔LD50： 105 mg/kg；鸟静脉LD50：19300 ug/kg； 繁殖：大鼠口经 TDLo ： 600 mg/kgSEX/DURATION : female 8-13 day(s) after conception； 大鼠口经TDLo：480 mg/kgSEX/DURATION : female 6-15 day(s) after conception； 致突变：沙门氏菌 Mutation in microorganismsTEST SYSTEM ： 200 ug/plate； 微生物（不除非另作说明）DNA inhibitionTEST SYSTEM：5 mg/L CHEMICAL IDENTIFICATION RTECS NUMBER : VA9660000 CAS REGISTRY NUMBER : 63-45-6 LAST UPDATED : 199509 DATA ITEMS CITED : 11 MOLECULAR FORMULA : C15-H21-N3-O.2H3-O4-P MOLECULAR WEIGHT : 455.39 WISWESSER LINE NOTATION : T66 BNJ HO1 JMY1&3Z &..H3.P-O4 2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 177 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 68 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 105 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Bird - domestic DOSE/DURATION : 19300 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 540 mg/kg SEX/DURATION : female 8-16 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetal death TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 600 mg/kg SEX/DURATION : female 8-13 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 480 mg/kg SEX/DURATION : female 6-15 day(s) after conception TOXIC EFFECTS : Reproductive - Maternal Effects - other effects MUTATION DATA TYPE OF TEST : DNA inhibition TEST SYSTEM : Microorganism - not otherwise specified DOSE/DURATION : 5 mg/L REFERENCE : AMACCQ Antimicrobial Agents and Chemotherapy. (American Soc. for Microbiology, 1913 I St., NW, Washington, DC 20006) V.1- 1972- Volume(issue)/page/year: 1,259,1972 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3750 No. of Facilities: 206 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 2809 (estimated) No. of Female Employees: 2111 (estimated)

安全

• 符号: GHS06
• 信号词: Danger
• 危害声明: H301
• 警示性声明: Missing Phrase - N15.00950417
• 个人防护装备: Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
• 危害码 (欧洲): T:Toxic
• 风险声明 (欧洲): R25
• 安全声明 (欧洲): S45
• 危险品运输编码: UN 2811 6.1/PG 3
• WGK德国: 3
• RTECS号: VA9660000
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2933499090

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海关

海关编码	2933499090
中文概述	2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 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	2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%