17alpha-Estradiol α-雌二醇

CAS 57-91-0 MFCD00064144

化学结构图

57-91-0
SMILES: CC12CCC3c4ccc(O)cc4CCC3C1CCC2O

化学属性

Mol. FormulaC18H24O2
Mol. Weight272.38
Melting Point176-180 °C
Solubilityethanol: 50 mg/mL, clear, colorless
Appearance powder
Boiling Point355.44 °C at 760 mmHg

别名和识别编码

Chemical Name17alpha-Estradiol
CAS Number57-91-0
Synonym Alpha-Estradiol {LY} Alpha-Estradiol alfatradiol {} {LY} Alpha-Estradiol {} {} {LY} Alpha-Estradiol {} {} {} {LY} Alpha-Estradiol {} {} {} {} {LY} Alpha-Estradiol {} {} {} {} {} {LY} Alpha-Estradiol {} {} {} {} {} {} {LY} Alpha-Estradiol {} {} {} {} {} {} {} {LY} Alpha-Estradiol {} {} {} {} {} {} {} {} {LY} Alpha-Estradiol {} {} {} {} {} {} {} {} {} {LY} Alpha-Estradiol {} {} {} {} {} {} {} {} {} {} {LY} Alpha-Estradiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Alpha-Estradiol {} {} {} {} {} {} {} {} {} {} {} {} {LY} Alpha-Estradiol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Alpha-Estradiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Alpha-Estradiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Alpha-Estradiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Alpha-Estradiol {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00064144
PubChem Substance ID68570
EC Number200-354-8
Reaxys-RN2698044
Merck Number3704
Chemical Name Translationα-雌二醇
Beilstein Registry Number2698044
Wiswesser Line NotationL E5 B666TTT&J E1 FQ OQ 17-ALPHA
LabNetwork Molecule IDLN01295699
InChIInChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1
Canonical SMILESC[C@@]12[C@H](O)CC[C@@]1([H])[C@]3([H])CCC4=C(C=CC(O)=C4)[C@@]3([H])CC2
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分类

  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Application Areas and Market Segments, Chromatography, Clinical Standards, E, EQ - EZ, Hormones, Neats and Solutions, Pharma
  • {SA} Alphabetic, Analytical Standards, Analytical/Chromatography, Chromatography, Clinical Standards, E, EQ - EZ, Hormones, Market Segments, Neats and Solutions, Standards for Food and Beverage Analysis, Standards for Pharma Clinical Forensic & Veterinary Analysis
  • {SNA} Bioactive Small Molecules,
  • {SNA} Bioactive Small Molecule Alphabetical Index, Cytokines, Growth Factors and H

产品应用

  • ########

相关文献及参考

  • [2]. Santos RS, et al. The effects of 17 alpha-estradiol to inhibit inflammation in vitro. Biol Sex Differ. 2017 Sep 6;8:30.
  • [3]. Zhang HB, et al. 17-Alpha-estradiol ameliorating oxygen-induced retinopathy in a murine model. Jpn J Ophthalmol. 2012 Jul;56(4):407-15.
  • Kuhnz, W., et al.: Arzneim.-Forsch., 43, 966 (1993),
  • Lievertz, R.W., et al.: Am. J. Obstret. Gynecol., 156, 1289 (1987),
  • Merck 14 ,3704
  • Naciff,G. M. et al., , Gene Expression Profile Induced by 17-Ethynyl Estradiol, Bisphenol A, and Genistein in the Developing Female Reproductive System of the Rat Toxicol. Sci. 68 , 184-199 , (2002)
  • Salole, E.G., Anal. Profiles Drug Subs., 15, 283 (1986),
  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic co

安全信息

RTECSKG3750000
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
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P263 Avoid contact during pregnancy/while nursing. 怀孕/哺乳期间避免接触。
  • 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
  • P319
  • 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.....
Signal word Warning
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
  • H350 May cause cancer 可能致癌
  • H351 Suspected of causing cancer 怀疑致癌
  • H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H362 May cause harm to breast-fed children 可能对母乳喂养的婴儿造成伤害
  • H372 Causes damage to organs through prolonged or repeated exposure 长期或频繁接触会损伤器官
Hazard Codes Xn T,Xn
WGK Germany3
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
Risk Statements
  • R48 Danger of serious damage to health by prolonged exposure 长期接触有严重损害健康的危险
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R45 May cause cancer 可能致癌
UN Number 2811 UN 2811 6.1/PG 2
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 3 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Reproductive - Tumorigenic effects - uterine tumors
REFERENCE :
   RBBIAL Revista Brasileira de Biologia.  Brazilian Review of Biology.
   (Academia Brasileira de Ciencias, Caixa Postal 229, ZC-00 Rio de Janeiro,
   Brazil)  V.1-    1941-  Volume(issue)/page/year: 5,1,1945

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Cells - not otherwise specified
DOSE/DURATION           : 100 mg/L
REFERENCE :
   JTEHD6 Journal of Toxicology and Environmental Health.  (Hemisphere Pub.,
   1025 Vermont Ave., NW, Washington, DC 20005)  V.1-    1975/76-
   Volume(issue)/page/year: 10,143,1982

其他信息

  • Sigma Aldrich:57-91-0(sigmaaldrich)
  • color:white with slight yellow cast
  • 用途一:治疗功能性子宫出血、原发性闭经、绝经期综合症等。
  • MOL 文件:57-91-0.mol
  • F:8-10

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Market Segments - Analytical Standards
  4. Standards for Pharma Clinical Forensic & Veterinary Analysis - Market Segments
  5. Neats and Solutions - Standards for Pharma Clinical Forensic & Veterinary Analysis
  6. Hormones - Neats and Solutions
  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Cytokines, Growth Factors and Hormones - Cell Signaling and Neuroscience
  5. Hormones - Cytokines, Growth Factors and Hormones
  6. Steroid Hormones - Hormones
  7. Estrogen - Steroid Hormones
  1. Medical Research Areas
  2. Metabolism
  3. 5 alpha Reductase  (5α-还原酶)
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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