17696-69-4

• 常用中文名：血卟啉二盐酸盐
• 常用英文名：Hematoporphyrin (dihydrochloride)
• CAS号：17696-69-4
• 分子式：C₃₄H₄₀Cl₂N₄O₆
• 分子量：671.611
• 相关类别： 原料药 神经系统用药 抗抑郁、躁狂药
• 发布时间：2018-08-02 20:11:56
• 更新时间：2024-01-05 17:03:34
• Hematoporphyrin二盐酸盐是一种血红素结合蛋白亲和色谱底物。

名称

• 中文名: 血卟啉二盐酸盐
• 英文名: Hematoporphyrin IX dihydrochloride,8,13-Bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionic acid dihydrochloride
• 中文别名: 血卟啉IX二氯化氢; 血卟啉盐酸盐
• 英文别名: MFCD00013470; 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, hydrochloride (1:2); HEMATOPORPHYRIN DIHYDROCHLORIDE; EINECS 241-699-4; 3,3'-[7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethylporphyrin-2,18-diyl]dipropanoic acid dihydrochloride; 3,3'-[7,12-Bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-2,18-porphyrindiyl]dipropanoic acid dihydrochloride; HAEMATOPORPHYRIN DIHYDROCHLORIDE; acido1,3,5,8-tetrametil-2,4-bis(idrossietil)porpfina-6,7-dipropionicodiclor; Hematoporphyrin (dihydrochloride)

物化性质

• 沸点: 1192.7ºC at 760 mmHg
• 分子式: C₃₄H₄₀Cl₂N₄O₆
• 分子量: 671.611
• 闪点: 675.1ºC
• 精确质量: 670.232483
• PSA: 171.36000
• LogP: 4.24970
• 外观性状: 紫色固体
• 蒸汽压: 0mmHg at 25°C
• 储存条件:

  常温密闭避光，通风干燥

• 稳定性:

  常温常压下稳定

  避免的物料：氧化物
• 水溶解性: Insoluble in water. Soluble in pyridine (5%).
• 分子结构:

  1、 摩尔折射率：162.75

  2、 摩尔体积（cm³/mol）：450.5

  3、 等张比容（90.2K）：1285.0

  4、 表面张力（dyne/cm）：66.1

  5、 极化率（10^-24cm³）：64.52

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:8

  3.氢键受体数量:8

  4.可旋转化学键数量:8

  5.互变异构体数量:6

  6.拓扑分子极性表面积172

  7.重原子数量:46

  8.表面电荷:0

  9.复杂度:1020

  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:2

  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:3

• 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）：不确定

  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：不确定

生物活性

• 描述: Hematoporphyrin二盐酸盐是一种血红素结合蛋白亲和色谱底物。
• 相关类别:
  信号通路 >> 其他 >> 其他
  研究领域 >> 其他
• 参考文献:

  [1]. Olsen, K.W., Affinity chromatography of heme-binding proteins: synthesis and characterization of hematin- and hematoporphyrin-agarose. Methods Enzymol, 1986. 123: p. 324-31.

MSDS

Section 1: Product Identification Chemical Name:Hematoporphyrin IX dihydrochloride CAS Registry Number:17696-69-4 Formula:C34H38N4O6.2HCl EINECS Number:241-699-4 Chemical Family:porphine (porphyrin) ligand Synonym:none Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title Compound17696-69-4100%no datano data Section 3: Hazards Identification Emergency Overview:No particular hazard associated with this material. Primary Routes of Exposure:Ingestion, inhalation Eye Contact:May cause slight to mild irritation of the eyes. Skin Contact:May cause slight to mild irritation of the skin. Inhalation:May be irritating to the nose, mucous membranes and respiratory tract. Ingestion:No specific information is available on the physiological effects of ingestion. Acute Health Affects:May be irritating to skin, eyes and respiratory tract. Chronic Health Affects:No information available on long-term chronic effects. NTP:No IARC:No OSHA:No SECTION 4: First Aid Measures Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need Eye Exposure: assistance in keeping their eye lids open. Get immediate medical attention. Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if Skin Exposure: irritation persists. Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty Inhalation: in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance. Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce Ingestion: vomiting only if directed by medical personnel. SECTION 5: Fire Fighting Measures Flash Point:no data Autoignition Temperature:none Explosion Limits:none Extinguishing Medium:carbon dioxide, dry powder or foam If this material is involved in a fire, fire fighters should be equipped with a NIOSH approved, positive pressure Special Fire Fighting Procedures: self contained breathing apparatus and full protective clothing. Hazardous Combustion andIf involved in a fire this material may emit toxic organic fumes. Decomposion Products: Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards. SECTION 6: Accidental Release Measures Spill and Leak Procedures:Small spills can be mixed with vermiculite or sodium carbonate and swept up. SECTION 7: Handling and Storage Handling and Storage:Store in a tightly sealed container. Keep away from heat and direct sunlight. SECTION 8: Exposure Controls and Personal Protection Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory. Skin Protection:Wear protective clothing and gloves. Ventilation:Material may form a fine dust. If possible, handle the material in an efficient fume hood. If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator Respirator: Protection Program to be in compliance with 29 CFR 1910.134. Ventilation:Material may form a fine dust. If possible, handle the material in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:purple xtl. Molecular Weight:671.62 Melting Point:no data Boiling Point:no data Vapor Pressure:no data Specific Gravity:no data Odor:none Solubility in Water:insoluble SECTION 10: Stability and Reactivity Stability:air and moisture stable solid Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:none Incompatibility:oxidizing agents Decomposition Products:carbon dioxide, carbon monoxide, nitrogen oxides, and organic fumes SECTION 11: Toxicological Information Oral (rat); LD50: >3 gm/kg. Intraperitoneal (rat); LD50: 278 mg/kg. Oral (mouse); LD50: >1300 mg/kg. RTECS Data: Intraperitoneal (mouse); LD50: 169 mg/kg. Carcinogenic Effects:No data available Mutagenic Effects:No data available Tetratogenic Effects:No data available SECTION 12: Ecological Information Ecological Information:No information available SECTION 13: Disposal Considerations Disposal:Dispose of according to local, state and federal regulations. SECTION 14: Transportation Shipping Name (CFR):Non-hazardous Hazard Class (CFR):NA Additional Hazard Class (CFR):NA Packaging Group (CFR):NA UN ID Number (CFR):NA Shipping Name (IATA):Non-hazardous Hazard Class (IATA):NA Additional Hazard Class (IATA):NA Packaging Group (IATA):NA UN ID Number (IATA):NA SECTION 15: Regulatory Information TSCA:Listed in the TSCA inventory. SARA (Title 313):Not reportable under SARA Title 313 Second Ingredient:none 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： >3 mg/kg；大鼠腹腔LD50： 278 mg/kg；小鼠口经LD50： >1300 mg/kg；小鼠腹腔LD50： 169 mg/kg 主要的刺激性影响： 在皮肤上面：刺激皮肤和黏膜。 在眼睛上面：刺激的影响。 致敏作用：没有已知的敏化影响。 生态学数据: 通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : TS5505000 CHEMICAL NAME : 2,18-Porphinedipropionic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, dihydrochloride CAS REGISTRY NUMBER : 17696-69-4 LAST UPDATED : 199701 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C34-H38-N4-O6.2Cl-H MOLECULAR WEIGHT : 671.68 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 : >3 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 117,145,1978 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 278 mg/kg TOXIC EFFECTS : Behavioral - tremor Behavioral - changes in motor activity (specific assay) Nutritional and Gross Metabolic - body temperature decrease REFERENCE : BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 117,145,1978 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >1300 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 117,145,1978 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 169 mg/kg TOXIC EFFECTS : Behavioral - tremor Behavioral - changes in motor activity (specific assay) Nutritional and Gross Metabolic - body temperature decrease REFERENCE : BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 117,145,1978

安全

• 风险声明 (欧洲): R33
• RTECS号: TS5505000