23313-80-6

• 常用中文名：差向四环素
• 常用英文名：4-Epitetracycline hydrochloride
• CAS号：23313-80-6
• 分子式：C₂₂H₂₅ClN₂O₈
• 分子量：480.896
• 相关类别： 原料药 抗生素类药物 四环素类药
• 发布时间：2018-05-20 08:00:00
• 更新时间：2024-01-05 15:46:19
• 4-表四环素盐酸盐是抗生素四环素的差向异构体。四环素的差向异构体没有催化作用,被认为是降解产物。4-上皮性四环素盐酸盐作为抗生素或Tet抑制效应剂的活性降低,但对动物可能有更强的毒性作用。

名称

• 中文名: 差向四环素盐酸盐
• 英文名: (4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide,hydrochloride
• 中文别名: 4-盐酸差向四环素
• 英文别名: 4-epi-Tetracycline hydrochloride; 4-Epitetracycline hydrochloride; 4-Epitetracycline hydrochloride,‘can be used as a secondary standard‘; 2,2,2,2-Propanetetracarbonitrile; 4-epi-TetracyclineHydrochloride; (4R,4aS,5aS,6S,12aS)-4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrochloride (1:1); 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4R,4aS,5aS,6S,12aS)-, hydrochloride (1:1); MFCD00085371; Epitetracycline hydrochloride; Tetracyanomethane

物化性质

• 沸点: 682.8ºC at 760mmHg
• 熔点: 217ºC
• 分子式: C₂₂H₂₅ClN₂O₈
• 分子量: 480.896
• 闪点: 366.7ºC
• 精确质量: 480.129944
• PSA: 181.62000
• LogP: 1.28790
• 外观性状: Fine Crystalline Powder | Yellow
• 折射率: 1.74
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：109.08

  2、 摩尔体积（m³/mol）：270.3

  3、 等张比容（90.2K）：856.0

  4、 表面张力（dyne/cm）：100.6

  5、 极化率（10 ^-24cm ³）：43.24

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:7

  3.氢键受体数量:9

  4.可旋转化学键数量:2

  5.互变异构体数量:168

  6.拓扑分子极性表面积182

  7.重原子数量:33

  8.表面电荷:0

  9.复杂度:971

  10.同位素原子数量:0

  11.确定原子立构中心数量:5

  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:2

• 更多:

  1. 性状：无可用

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：217

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

生物活性

• 描述: 4-表四环素盐酸盐是抗生素四环素的差向异构体。四环素的差向异构体没有催化作用,被认为是降解产物。4-上皮性四环素盐酸盐作为抗生素或Tet抑制效应剂的活性降低,但对动物可能有更强的毒性作用。

MSDS

Name: 4-Epitetracycline Hydrochloride "Can be used as Secondary Standard." Material Safety Data Sheet Synonym: Quatrimycin Hydrochloride CAS: 23313-80-6 Section 1 - Chemical Product MSDS Name:4-Epitetracycline Hydrochloride "Can be used as Secondary Standard." Material Safety Data Sheet Synonym:Quatrimycin Hydrochloride Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 23313-80-6 4-Epitetracycline Hydrochloride ca 100 unlisted Hazard Symbols: XN Risk Phrases: 63 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Possible risk of harm to the unborn child.Light sensitive.Moisture sensitive.Air sensitive.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. May cause liver and kidney damage. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. May cause liver and kidney damage. The toxicological properties of this substance have not been fully investigated. Chronic: May cause liver and kidney damage. May cause reproductive and fetal effects. 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. 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. 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. Do NOT get water inside containers. 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. Do not get water inside containers. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Store protected from light. Handle under an inert atmosphere. Store protected from air. Do not allow contact with water. Keep from contact with moist air and steam. Storage: Do not store in direct sunlight. Store in a tightly closed container. Keep under a nitrogen blanket. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store protected from moisture. 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# 23313-80-6: 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: Crystalline powder Color: yellow Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 217 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: > 217 deg C Solubility in water: in water: 1:10 m/v Specific Gravity/Density: Molecular Formula: C22H24N2O8.HCl Molecular Weight: 480.89 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, light, moisture, exposure to air, exposure to moist air or water. Incompatibilities with Other Materials: Moisture, air. Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 23313-80-6: QJ1898250 LD50/LC50: Not available. Carcinogenicity: 4-Epitetracycline Hydrochloride - 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 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: XN Risk Phrases: R 63 Possible risk of harm to the unborn child. Safety Phrases: S 28A After contact with skin, wash immediately with plenty of water. S 36/37 Wear suitable protective clothing and gloves. 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# 23313-80-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 23313-80-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 23313-80-6 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: 试验方法：腹腔 摄入剂量： “ 500毫克/千克 测试对象：啮齿动物-鼠 毒性类型：急性 毒性作用：详细的毒副作用没有报告以外的其他致死剂量值 生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : QJ1898250 CHEMICAL NAME : 2-Naphthacenecarboxamide, 1,4,4a,5,5a,6,11,12a-octahydro-4-(dimethylamino)-1,11 -dioxo-6- methyl-3,6,10,12,12a-pentahydroxy-, 4-epimer, hydrochloride CAS REGISTRY NUMBER : 23313-80-6 LAST UPDATED : 199203 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C22-H24-N2-O8.Cl-H MOLECULAR WEIGHT : 480.94 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 7,569,1957

安全

• 符号: GHS07, GHS08
• 信号词: Warning
• 危害声明: H315-H319-H335-H361
• 警示性声明: P280-P305 + P351 + P338
• 个人防护装备: Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): 63-36-36/37/38
• 安全声明 (欧洲): 36/37/39-26-36
• 危险品运输编码: NONH for all modes of transport
• RTECS号: QJ1898250
• 海关编码: 29413000