Pregna-4,16-Diene-3,20-Dione 16-去氢黄体酮

CAS 1096-38-4 MFCD00003651

化学结构图

1096-38-4
SMILES: CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

化学属性

Mol. FormulaC₂₁H₂₈O₂
Mol. Weight312.45
Melting Point>176ºC (dec.)
Appearance 16-去氢黄体酮(1096-38-4)为白色或类白色结晶性粉末。熔点185℃-195℃。
Boiling Point
Flash Point-

别名和识别编码

Chemical NamePregna-4,16-Diene-3,20-Dione
MDL Number-
CAS Number1096-38-4
Synonym 16-DEHYDROPROGESTERONE 16-DEHYDROPROGESTERONE CRYSTALLINE 16-Dehydroprogesterone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID101964
EC Number214-142-8
Chemical Name Translation16-去氢黄体酮
LabNetwork Molecule IDLN01808618
InChIInChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1
Canonical SMILES-
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分类

  • {SNA} Asymmetric Synthesis, Bioactive Small Molecules, Cell Biology, Chemical Synthesis, Chiral Building Blocks, Complex Molecules, D-DIF

相关文献及参考

  • [1]. Glass TL, et al. Stimulation of 16-dehydroprogesterone and progesterone reductases of Eubacterium sp. strain 144 by hemin and hydrogen or pyruvate. Appl Environ Microbiol. 1985 May;49(5):1146-53.

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P203
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P312
  • P301+P317
  • P302+P352
  • P304+P312
  • P304+P340
  • P308+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P317
  • P318
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H332 Harmful if inhaled 吸入有害
  • H351 Suspected of causing cancer 怀疑致癌
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
Storage condition -20 -20°C 2-8°C

其他信息

  • Sigma Aldrich:1096-38-4(sigmaaldrich)
  • MOL 文件:1096-38-4.mol
  • 方法一:由α-黄体酮脱氢分解而成。
  • 用途一:医药中间体。
  • 上游原料:孕酮

系列性分类


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