替勃龙

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

替勃龙 基本信息

中文名称:
替勃龙 
中文别名:
替勃龙;
17-羟基-7alpha-甲基-19-去甲孕甾-5(10)-烯-20-炔-3-酮;
(7α,17α)-17-Hydroxy-7-methyl-19-norpregn-5(10)-en-20-yn-3-one 
英文名称:
19-Norpregn-5(10)-en-20-yn-3-one,17-hydroxy-7-methyl-, (7a,17a)-
英文别名:
tibolone;
Tibolone;
7a-Methyl-5,10-norethindrone;
7a-Methyl-D5,10-norethindrone;
Org OD 14;
LIVIELLA;
LIVIAL 
CAS No.:
5630-53-5
分 子 式:
C21H28O2
分 子 量:
312.45
精确分子量:
312.20900
PSA:
37.30000
EINECS:
227-069-1
InChI:
InChI=1/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1
危险品标志:
N:
风险术语:
51/53;
安全术语:
22-24/25-61;
分子结构式:
SDS:
查看

替勃龙 制备方法及用途

制备方法

以7α-甲基-10-甲醛基孕甾-4-烯-3,17-二酮为原料制得。

合成制备方法

7α-甲基-10-甲醛基孕甾-4--3,17-二酮为原料制得。

用途简介

用于自然或外科手术引起的绝经。

用途

本品具有雄激素活性和弱的促孕激素活性,有明显的合成代谢作用,可以预防绝经后更年期综合征如妇女的骨质疏松,减轻颜面潮红、发汗等更年期症候。本品属于蛋白同化激素和雄性激素类药,用于治疗绝经和绝经后综合征。

替勃龙 物化性质

外观与性状:
白色至灰白色结晶粉末
密度:
1.13g/cm3
熔点:
169 °C
沸点:
447.4ºC at 760mmHg
闪点:
190.6ºC
折射率:
105 ° (C=0.54, CH2Cl2/Et2O)
存储条件/存储方法:

 避光,阴凉干燥处,密封保存

稳定性相关:

常温常压下稳定

其它信息:

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):165-169

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:105

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

替勃龙 安全信息

危险类别码:
R51/53
安全说明:
S22-S24/25-S61
RTECS号:
RC8964020
安全标志:
S22:不要吸入粉尘。
S61:避免排放到环境中。参考专门的说明/安全数据表。
:
危险标志:
N

替勃龙 毒理性

生态数据:

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.

替勃龙 MSDS


Section I.Chemical Product and Company Identification
    Chemical Name Tibolone
    Portland OR
    Synonym        17α-Hydroxy-7α-methyl-19-norpregn-5(10)-en-20-yn-    
    3-one
    Chemical Formula        C21H28O2    
    CAS Number        5630-53-5    

Section II.        Composition and Information on Ingredients    
    Toxicology Data
    Chemical Name        CAS Number Percent (%)        TLV/PEL    
    Tibolone        5630-53-5 Min. 98.0 (GC) Not available.        Not available.    

Section III. Hazards Identification
    Acute Health Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15    
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing    
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
    Inhalation
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
    material was ingested; the absence of such signs, however, is not conclusive.

Section V.        Fire and Explosion Data    
    Not available.
    May be combustible at high temperature.        Auto-Ignition    
    Flammability
    Flash Points        Flammable Limits        Not available.    
    Not available.
    These products are toxic carbon oxides (CO, CO2).
    Combustion Products
    Fire Hazards
    Not available.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemical powder.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    Tibolone

Section VI.        Accidental Release Measures    
    Spill Cleanup        Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any    
    contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    Instructions
    disposal.

Section VII. Handling and Storage
    Handling and Storage        Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool    
    place. Avoid excessive heat and light. Do not breathe dust.
    Information
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended
    Engineering Controls
    exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants
    below the exposure limit.
    Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
    Personal Protection
    specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Solid. (Crystal, powder. White - almost        Solubility    
    Physical state @ 20°C        Not available.    
    white.)
    Not available.
    Specific Gravity
    Molecular Weight        312.45        Partition Coefficient        Not available.    
    Boiling Point
    Not available.        Vapor Pressure        Not applicable.    
    Melting Point        169°C (336.2°F)        Vapor Density        Not available.    
    Refractive Index        Not available.        Volatility        Not available.    
    Critical Temperature        Not available.        Odor        Not available.    
    Not available.        Not available.    
    Viscosity        Taste    

Section X.        Stability and Reactivity Data    

This material is stable if stored under proper conditions. (See Section VII for instructions)
    Stability
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities
    Reactive with oxidizing agents.

Section XI. Toxicological Information
    RTECS Number        RC8964020    
    Eye Contact. Ingestion. Inhalation.
    Routes of Exposure
    Not available.
    Toxicity Data
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    No specific information is available in our data base regarding the toxic effects of this material for humans. However,
    Acute Toxic Effects
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this
    compound.

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        Not available.    
    Continued on Next Page
    Tibolone

Section XIII. Disposal Considerations
    Waste Disposal        Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a    
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    PIN Number        Not applicable.    
    Proper Shipping Name        Not applicable.    
    Packing Group (PG)        Not applicable.    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        Not controlled under WHMIS (Canada).    
    (Canada)
    EINECS Number (EEC) 227-069-1
    EEC Risk Statements
    Not available.


SECTION 16 - ADDITIONAL INFORMATION
N/A

替勃龙 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:89.95

2   摩尔体积m3/mol274.1

3   等张比容(90.2K):719.4

4   表面张力dyne/cm47.4

5   极化率10-24cm335.65

计算化学数据

1、   疏水参数计算参考值(XlogP):2.4

2、   氢键供体数量:1

3、   氢键受体数量:2

4、   可旋转化学键数量:1

5、   互变异构体数量:8

6、   拓扑分子极性表面积(TPSA):37.3

7、   重原子数量:23

8、   表面电荷:0

9、   复杂度:636

10、   同位素原子数量:0

11、   确定原子立构中心数量:6

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

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