1173-26-8 (皮质甾酮-21-乙酸酯,Corticosterone 21-Acetate)

皮质甾酮-21-乙酸酯(1173-26-8)名称与标识符

名称

中文别名:
21-乙酸肾上腺酮;肾上腺酮21-乙酯;Corticosterone 21-Acetate 肾上腺酮21-乙酯;Corticosterone-21-acetate,certified 标准品;松节油(萜烯、类萜物)月桂烯馏分羟基乙酸酯;皮质甾酮-21-乙酸酯;皮质酮-21-乙酸酯;
英文别名:
Pregn-4-ene-3,20-dione,21-(acetyloxy)-11-hydroxy-, (11b)-;11Beta,21-Dihydroxy-4-Pregnene-3,20-Dione 21-Acetate;Corticosterone 21-Acetate;CORTICOSTERONE-21-ACETATE;[2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;11β,21-Dihydroxy-4-pregnene-3,20-dione 21-Acetate;Cort A;Corticosterone acetate;SKF 5654;CORTICOSTERONE, 21-ACETATE;KN17U0V6BL;EINECS 214-635-8;NSC 81764;NSC81764;Corticosterone 21-acetate, VETRANAL(TM), analytical standard;Pregn-4-ene-3, 11.beta.,21-dihydroxy-, 21-acetate;Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-, (11beta)-;NS00044755;CHEBI:34141;11.beta.,21-Dihydroxypregn-4-ene-3,20-dione acetate;Pregn-4-ene-3,20-dione, 11beta,21-dihydroxy-, 21-acetate;Pregn-4-ene-3, 21-(acetyloxy)-11-hydroxy-, (11.beta.)-;2-((8S,9S,10R,11S,13S,14S,17S)-11-Hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate;AKOS025294137;11-beta,21-Dihydroxypregn-4-ene-3,20-dione acetate;11beta,21-Dihydroxypregn-4-ene-3,20-dione 21-acetate;2-((8S,9S,10R,11S,13S,14S,17S)-11-Hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthr;Pregn-4-ene-3,20-dione, 11.beta.,21-dihydroxy-, 21-acetate;WKQCPUMQBMFPLC-ZWFCQKKLSA-N;Q27115843;21-O-Acetyl-corticosterone;UNII-KN17U0V6BL;AS-70575;A803750;Pregn-4-ene-3,20-dione, 11-beta,21-dihydroxy-, 21-acetate;11.beta.,20-dione acetate;Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-, (11b)-;SCHEMBL635203;Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-, (11-beta)-;11-Hydroxy-3,20-dioxopregn-4-en-21-yl acetate, (11.beta.)-;NSC-81764;WLN: L E5 B666 OV MUTJ A1 CQ E1 FV1OV1;4-Pregnen-11.beta.,21-diol-3,20-dione-21-acetate;BRN 3225312;Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-, (11.beta.)-;DTXSID301020284;1173-26-8;T70121;11beta,21-Dihydroxypregn-4-ene-3,20-dione acetate;11-Hydroxy-3,20-dioxopregn-4-en-21-yl acetate, (11beta)-;4-08-00-02907 (Beilstein Handbook Reference);4-Pregnen-11beta,21-diol-3,20-dione-21-acetate;Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-, (11-beta)-(9CI);

标识符

MDL:
MFCD00010482
InChIKey:
WKQCPUMQBMFPLC-ZWFCQKKLSA-N
Inchi:
1S/C23H32O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-19,21,26H,4-9,11-12H2,1-3H3/t16-,17-,18+,19-,21+,22-,23-/m0/s1
SMILES:
O[C@H]1C[C@]2(C)[C@@H](C(COC(C)=O)=O)CC[C@H]2[C@@H]2CCC3=CC(CC[C@]3(C)[C@H]21)=O
BRN:
3225312

皮质甾酮-21-乙酸酯(1173-26-8)物化性质

实验特性

  • LogP : 3.23750
  • PSA : 80.67000
  • Merck : 2538
  • 折射率 : 1.6120 (estimate)
  • 沸点 : 434.19°C (rough estimate)
  • 熔点 : 147.0 to 152.0 deg-C
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 密度 : 1.0775 (rough estimate)

计算特性

  • 精确分子量 : 388.22500
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 4
  • 同位素质量 : 388.22497412g/mol
  • 重原子数量 : 28
  • 复杂度 : 739
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 7
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.5
  • 互变异构体数量 : 15
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 80.7

皮质甾酮-21-乙酸酯(1173-26-8)安全信息

皮质甾酮-21-乙酸酯(1173-26-8)国际标准相关数据

EINECS:
81764

皮质甾酮-21-乙酸酯(1173-26-8)推荐厂家 更多厂家(11)

皮质甾酮-21-乙酸酯(1173-26-8)相关文献

皮质甾酮-21-乙酸酯(1173-26-8)参考资料

Reaxys RN:
3225312
Beilstein:
8(3)3575
PubChem CID:

皮质甾酮-21-乙酸酯(1173-26-8) MSDS

基础信息


Section I.Chemical Product and Company Identification
    Chemical Name Corticosterone 21-Acetate
    Portland OR
    Synonym        Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-    
    hydroxy-, (11-beta)- (9 CI)
    Chemical Formula        C23H32O5    
    CAS Number        1173-26-8    

Section II.        Composition and Information on Ingredients    
    Toxicology Data
    Chemical Name        CAS Number Percent (%)        TLV/PEL    
    Corticosterone 21-Acetate        Min. Not available.        Not available.    
    1173-26-8
    98.0(HPLC)

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. Follow safe industrial hygiene practices and always 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: REPRODUCTIVE EFFECTS:
    Rat TDLo (intraperitoneal) 250mg/kg, female, 3 Days prior to mating.
    Toxic Effects:
    Maternal Effects- Ovaries, fallopian tubes.
    Maternal Effects- Uterus, cervix, vagina.
    Maternal Effects- Menstrual cycle changes or disorders.
    Rat TDLo (intraperitoneal) 250mg/kg, male, 1 Day prior to mating.
    Toxic Effects:
    Paternal Effects- Testes, epididymis, sperm duct.
    Mouse TDLo (subcutaneous) 7200mg/kg, female, 11-14 Days of pregnancy.
    Toxic Effects:
    Effects on Fertility- Post-implantation mortality.
    Effects on Embryo or Fetus- Fetotoxicity.
    Specific Developmental Abnormalities- Craniofacial.
    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.
    Continued on Next Page
    Corticosterone 21-Acetate

Section V.        Fire and Explosion Data    
    Not available.
    Flammability        May be combustible at high temperature.        Auto-Ignition    
    Flash Points        Flammable Limits    
    Not available.        Not available.    
    Combustion Products
    These products are toxic carbon oxides (CO, CO 2).
    Fire Hazards
    Not available.
    Explosion Hazards        Risks of explosion of the product in presence of mechanical impact: Not available.    
    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.

Section VI.        Accidental Release Measures    
    Spill Cleanup        Light sensitive material.    
    Instructions        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
    disposal.

Section VII. Handling and Storage
    Handling and Storage        LIGHT SENSITIVE. 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
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below    
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult    
    a 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
    Solubility
    Physical state @ 20°C        Solid. (White powder.)        Not available.    
    Not available.
    Specific Gravity
    Molecular Weight        388.50        Partition Coefficient        Not available.    
    Boiling Point
    Not available.        Vapor Pressure        Not applicable.    
    Melting Point        145 to 146°C (293 to 294.8°F)        Vapor Density        Not available.    
    Refractive Index        Not available.        Volatility        Not available.    
    Critical Temperature        Not available.        Odor        Not available.    
    Viscosity        Not available.        Taste        Not available.    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Light sensitive. Avoid excessive heat and light.    
    Incompatibilities
    Reactive with oxidizing agents.
    Continued on Next Page
    Corticosterone 21-Acetate

Section XI. Toxicological Information
    RTECS Number        GM7820000    
    Routes of Exposure        Eye Contact. Ingestion. Inhalation.    
    Toxicity Data        Not available.    
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: REPRODUCTIVE EFFECTS:
    Rat TDLo (intraperitoneal) 250mg/kg, female, 3 Days prior to mating.
    Toxic Effects:
    Maternal Effects- Ovaries, fallopian tubes.
    Maternal Effects- Uterus, cervix, vagina.
    Maternal Effects- Menstrual cycle changes or disorders.
    Rat TDLo (intraperitoneal) 250mg/kg, male, 1 Day prior to mating.
    Toxic Effects:
    Paternal Effects- Testes, epididymis, sperm duct.
    Mouse TDLo (subcutaneous) 7200mg/kg, female, 11-14 Days of pregnancy.
    Toxic Effects:
    Effects on Fertility- Post-implantation mortality.
    Effects on Embryo or Fetus- Fetotoxicity.
    Specific Developmental Abnormalities- Craniofacial.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    Acute Toxic 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. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this
    compound.

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        Not available.    

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 available.    
    (Canada)
    EINECS Number (EEC) 214-635-8
    EEC Risk Statements
    Not available.
    Japanese Regulatory Data Not available.
    Continued on Next Page


SECTION 16 - ADDITIONAL INFORMATION
N/A