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566-19-8

(7-酮基去氫表雄酮,7-Keto-dehydroepiandrosterone)
7-酮基去氫表雄酮結構式圖片|566-19-8結構式圖片
7-酮基去氫表雄酮
7-Keto-dehydroepiandrosterone
566-19-8
C19H26O3
302.4079
如需查看該化合物的詳細結構式,mol文件,smile,InChi 請點(diǎn)擊:7-酮基去氫表雄酮結構式
7-酮基去氫表雄酮MOL
193313

名稱(chēng)和標識符

MDLMFCD00198500
InChIKeyKPRGOTLNGIBVFL-GINZOMEDSA-N
Inchi1S/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12-,13-,14-,17-,18-,19-/m0/s1
SMILESO=C1C([H])([H])C([H])([H])[C@]2([H])[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]1([H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])C3=C([H])C([C@]12[H])=O)O[H]

別名信息

- 中文別名 -

  • 7-酮基去氫表雄酮
  • 7-酮基-去氫表雄酮
  • 7-酮基去氫表雄酮標準品
  • 7酮去氫表雄酮
  • 酮基-去氫表雄酮

- 英文別名 -

  • 7-Keto-Dehydroepiandrosterone
  • 7-KETO DHEA
  • DEHYDROISOANDROSTERONE, 7-KETO(7-KETO DHEA)(P)
  • 7-Keto Dehydro Epiandrosterone
  • 7-Hydroxydehydroepiandrosterone
  • 5-Androstene-3b-ol-7,17-dione
  • 7-Keto-DHEA
  • 7-Oxo-DHEA
  • 7-Oxodehydroepiandrosterone
  • 7-Ketodehydroepiandrosterone
  • 2334LJD2E9
  • DHEA, 7-keto-
  • 7-Keto
  • 7-oxo DHEA
  • 3
  • A-hydr
  • 3beta-Hydroxyandrost-5-ene-7,17-dione
  • ANDROST-5-ENE-7,17-DIONE, 3-HYDROXY-, (3.BETA.)-
  • 7-Keto Dehydro Epiandrosterone (1.0mg/ml in Methanol)
  • PD076289
  • Q-200562
  • AC-13409
  • KPRGOTLNGIBVFL-GINZOMEDSA-N
  • 7-OXO-PRASTERONE
  • (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-7,17-dione
  • 566-19-8
  • SCHEMBL600097
  • UNII-2334LJD2E9
  • 7-ketoprasterone
  • Androst-5-ene-7,17-dione, 3-hydroxy-, (3b)-
  • 3 beta-hydroxyandrost-5-ene-7,17-dione
  • ANDROST-5-ENE-7,17-DIONE, 3-HYDROXY-, (3BETA)-
  • DS-8228
  • 7-KETO-DEHYDROEPIANDROSTERONE [WHO-DD]
  • CHEBI:183808
  • (3aS,3bR,7S,9aR,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,4-dione
  • DTXSID801024029
  • 7-oxo-dehydroepiandrosterone
  • Q4642869
  • AKOS005146223
  • MFCD00198500
  • (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-3,4,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-7,17(2H,8H)-dione
  • 5-androsten-3beta-ol-7,17-dione
  • 7-oxoprasterone
  • 3beta-hydroxy-5-androstene-7,17-dione
  • NS00122933
  • 3-Hydroxy-10,13-dimethyl-3,4,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-7,17(2H,8H)-dione

物化性質(zhì)

實(shí)驗特性

LogP3.05820
PSA54.37000
折射率1.59
沸點(diǎn)477.1 oC at 760 mmHg
熔點(diǎn)214-245°C
蒸氣壓0.0±2.7 mmHg at 25°C
閃點(diǎn)256.5 oC
顏色與性狀Powder
密度1.2

計算特性

精確分子量302.18800
氫鍵供體數量1
氫鍵受體數量3
可旋轉化學(xué)鍵數量0
同位素質(zhì)量302.188
重原子數量22
復雜度577
同位素原子數量0
確定原子立構中心數量6
不確定原子立構中心數量0
確定化學(xué)鍵立構中心數量0
不確定化學(xué)鍵立構中心數量0
共價(jià)鍵單元數量1
疏水參數計算參考值(XlogP)2
拓撲分子極性表面積54.4

海關(guān)數據

海關(guān)編碼2937290090
海關(guān)數據

中國海關(guān)編碼:

2937290090

生產(chǎn)方法和用途

用途
用作醫藥中間體

相關(guān)文獻

專(zhuān)業(yè)數據庫參考

PubChemId193313

參考資料

Reaxys RN

7-酮基去氫表雄酮 MSDS

基礎信息


Section 1. Chemical Product and Company Identification
    Dehydroepiandrosterone, 7-Keto
    Common Name/
    Trade Name
    Dehydroepiandrosterone, 7-Keto

Section 4. First Aid Measures
    Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least
    Eye Contact
    15 minutes. Get medical attention if irritation occurs.
    Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.
    Skin Contact
    Serious Skin Contact        Not available.    
    Inhalation        If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get    
    medical attention.
    Not available.
    Serious Inhalation
    Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
    Ingestion
    unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
    clothing such as a collar, tie, belt or waistband.
    Not available.
    Serious Ingestion

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Not available.
    Flash Points
    Not available.
    Flammable Limits
    These products are carbon oxides (CO, CO2).
    Products of Combustion
    Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
    Various Substances
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards in
    Risks of explosion of the product in presence of static discharge: Not available.
    Presence of Various
    Substances
    SMALL FIRE: Use DRY chemical powder.
    Fire Fighting Media
    LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
    and Instructions
    Material in powder form, capable of creating a dust explosion. As with most organic solids, fire is possible at elevated
    Special Remarks on
    temperatures
    Fire Hazards
    Fine dust dispersed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust
    Special Remarks on
    explosion hazard.
    Explosion Hazards

Section 6. Accidental Release Measures
    Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by spreading
    Small Spill
    water on the contaminated surface and dispose of according to local and regional authority requirements.
    Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water on
    Large Spill
    the contaminated surface and allow to evacuate through the sanitary system.
    Dehydroepiandrosterone, 7-Keto

Section 7. Handling and Storage
    Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not
    Precautions
    breathe dust. Keep away from incompatibles such as oxidizing agents.
    Keep container tightly closed. Keep container in a cool, well-ventilated area.
    Storage

Section 8. Exposure Controls/Personal Protection
    Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
    Engineering Controls
    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        Safety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves.    
    Personal Protection in Case Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used to
    avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE
    of a Large Spill
    handling this product.
    Exposure Limits        Not available.    

Section 9. Physical and Chemical Properties
    Solid. (Powdered solid.)        Not available.    
    Physical state and        O dor    
    appearance
    Not available.
    Taste
    302.41 g/mole
    Molecular Weight
    White. Off-white.
    Color
    Not available.
    pH (1% soln/water)
    Not available.
    Boiling Point
    242°C (467.6°F) -244 C.
    Melting Point
    Not available.
    Critical Temperature
    Not available.
    Specific Gravity
    Not applicable.
    Vapor Pressure
    Not available.
    Vapor Density
    Not available.
    Volatility
    Not available.
    Odor Threshold
    Not available.
    Water/Oil Dist. Coeff.
    Not available.
    Ionicity (in Water)
    Not available.
    Dispersion Properties
    Not available.
    Solubility

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Not available.
    Instability Temperature
    Conditions of Instability Excess heat, incompatible materials, dust generation.
    Incompatibility with various Reactive with oxidizing agents.
    substances
    Not available.
    Corrosivity
    Dehydroepiandrosterone, 7-Keto
    Not available.
    Special Remarks on
    Reactivity
    Not available.
    Special Remarks on
    Corrosivity
    Will not occur.
    Polymerization

Section 11. Toxicological Information
    Inhalation. Ingestion.
    Routes of Entry
    Toxicity to Animals        LD50: Not available.    
    LC50: Not available.
    Chronic Effects on Humans Not available.
    Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.
    Other Toxic Effects on
    Humans
    Not available.
    Special Remarks on
    Toxicity to Animals
    May cause adverse reproductive effects and birth defects (teratogenic).
    Special Remarks on
    Chronic Effects on Humans May affect genetic material (mutagenic).
    May cause cancer
    Special Remarks on other        Potential Health Effects:    
    Skin: May cause skin irritation.
    Toxic Effects on Humans
    Eyes: Dust may cause eye irritation.
    Inhalation: Dust may cause respiratory tract irritation.
    Ingestion: May affect the liver, spleen, cardiovascular system(cardiac arrhythmias).
    Medical Conditions Aggravated by Exposure: Because it is a precusor of testosterone and estrogen, people with
    cancer (such as breast, ovarian, and testicular cancer) should avoid it.; if currently being treated with the following
    medications: AZT, Barbiturates, Cisplatin, Steroids, Estrogen.

Section 12. Ecological Information
    Not available.
    Ecotoxicity
    Not available.
    BOD5 and COD
    Products of Biodegradation Possibly hazardous short term degradation products are not likely. However, long term degradation products may
    arise.
    The product itself and its products of degradation are not toxic.
    Toxicity of the Products
    of Biodegradation
    Not available.
    Special Remarks on the
    Products of Biodegradation

Section 13. Disposal Considerations
    Waste must be disposed of in accordance with federal, state and local environmental control
    Waste Disposal
    regulations.
    Dehydroepiandrosterone, 7-Keto

Section 14. Transport Information
    DO T Cl assi fi cati on        Not a DOT controlled material (United States).    
    Not applicable.
    Identification
    Not applicable.
    Special Provisions for
    Transport
    DO T (Pi ctograms)

Section 15. Other Regulatory Information and Pictograms
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    Federal and State
    cause cancer, birth defects or other reproductive harm, which would require a warning under the statute:
    Regulations
    Dehydroepiandrosterone, 7-Keto
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    cause reproductive harm (female) which would require a warning under the statute: Dehydroepiandrosterone, 7-Keto
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    cause reproductive harm (male) which would require a warning under the statute: Dehydroepiandrosterone, 7-Keto
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    California
    cause cancer which would require a warning under the statute: No products were found.
    Proposition 65
    Warnings
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    cause birth defects which would require a warning under the statute: No products were found.
    Not available.
    Other Regulations
    WHMIS (Canada) CLASS D-2A: Material causing other toxic effects (VERY TOXIC).
    Other Classifications
    This product is not classified according Not applicable.
    DSCL (EEC)
    to the EU regulations.
    Health Hazard
    HMIS (U.S.A.)        1 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    1 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG(Canada)
    (Pictograms)
    Dehydroepiandrosterone, 7-Keto
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Lab coat.
    Dust respirator. Be sure to use an
    approved/certified respirator or equivalent.


SECTION 16 - ADDITIONAL INFORMATION
N/A

產(chǎn)品用途

用作醫藥中間體

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