戊酸雌二醇结构式
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常用名 | 戊酸雌二醇 | 英文名 | Estradiol valerate |
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CAS号 | 979-32-8 | 分子量 | 356.498 | |
密度 | 1.1±0.1 g/cm3 | 沸点 | 486.2±45.0 °C at 760 mmHg | |
分子式 | C23H32O3 | 熔点 | 144°C | |
MSDS | 中文版 美版 | 闪点 | 191.1±21.5 °C | |
符号 |
GHS08 |
信号词 | Danger |
戊酸雌二醇用途Estradiol valerianate (β-estradiol 17-valerate) 是合成的雌性激素,可与其它甾类激素联用。 |
中文名 | 戊酸雌二醇 |
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英文名 | Estradiol 17-Valerate |
中文别名 | 17-戊酸-17-BETA-雌二酯 | 3-羟基雌甾-1,3,5(10)-三烯-17b-醇 17-戊酸酯 | 3,5(10)-三烯-17B-醇 17-戊酸酯 | 17-戊酸-Beta-雌二醇酯 | 17-戊酸-β-雌二醇酯 |
英文别名 | 更多 |
描述 | Estradiol valerianate (β-estradiol 17-valerate) 是合成的雌性激素,可与其它甾类激素联用。 |
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相关类别 | |
靶点 |
Estrogen Receptor/ERR |
体外研究 | β-雌二醇17-戊酸(EV)是一种合成的雌激素,广泛用于激素替代疗法药物中的其他类固醇激素,并在天然水中检测。 EV是雄性和雌性鱼类中的生殖毒物和雌激素化学物质[1]。 |
参考文献 |
密度 | 1.1±0.1 g/cm3 |
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沸点 | 486.2±45.0 °C at 760 mmHg |
熔点 | 144°C |
分子式 | C23H32O3 |
分子量 | 356.498 |
闪点 | 191.1±21.5 °C |
精确质量 | 356.235138 |
PSA | 46.53000 |
LogP | 6.62 |
外观性状 | 固体;White to Almost white powder to crystal |
蒸汽压 | 0.0±1.3 mmHg at 25°C |
折射率 | 1.568 |
储存条件 | 室温 |
水溶解性 | 水溶性:不溶;水溶解度:3.6 mg/l 27 °C;易溶于:乙醇,乙醚,二噁烷;可溶于:甲醇,氯仿 |
分子结构 | 1、摩尔折射率:102.64 2、摩尔体积(cm3/mol):313.9 3、等张比容(90.2K):823.4 4、表面张力(dyne/cm):47.3 5、介电常数:无可用的 6、极化率:40.69 7、单一同位素质量:356.235145 Da 8、标称质量:356 Da 9、平均质量:356.4984 Da |
计算化学 | 1、疏水参数计算参考值(XlogP):6 2、氢键供体数量:1 3、氢键受体数量:3 4、可旋转化学键数量:5 5、互变异构体数量:9 6、拓扑分子极性表面积(TPSA):46.5 7、重原子数量:26 8、表面电荷:0 9、复杂度:518 10、同位素原子数量:0 11、确定原子立构中心数量:5 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 |
符号 |
GHS08 |
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信号词 | Danger |
危害声明 | H360 |
警示性声明 | P201-P280-P308 + P313 |
个人防护装备 | Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
危害码 (欧洲) | T:Toxic |
风险声明 (欧洲) | R60;R61 |
安全声明 (欧洲) | S53-S45 |
危险品运输编码 | 2811.0 |
WGK德国 | 3 |
RTECS号 | KG5793000 |
~73% 戊酸雌二醇 979-32-8 |
文献:LUPIN LIMITED; Sasane, Sachin Arun; Ahire, Vijay Ashok; Vyas, Rajesh; Bhise, Nandu Baban; Singh, Girij Pal Patent: US2013/225845 A1, 2013 ; Location in patent: Paragraph 0056-0059 ; |
~% 戊酸雌二醇 979-32-8 |
文献:Chemical and Pharmaceutical Bulletin, , vol. 11, # 4 p. 510 - 514 |
~% 戊酸雌二醇 979-32-8 |
文献:Annales Pharmaceutiques Francaises, , vol. 16, p. 757,760, 762 |
~% 戊酸雌二醇 979-32-8 |
文献:DE702574 , ; DRP/DRBP Org.Chem. |
~% 戊酸雌二醇 979-32-8 |
文献:Yakugaku Zasshi, , vol. 76, p. 847 Chem.Abstr., , p. 1237 |
戊酸雌二醇上游产品 5 | |
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戊酸雌二醇下游产品 0 |
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Neonatal outcomes after the implantation of human embryos vitrified using a closed-system device.
J. Assist. Reprod. Genet. 32(4) , 521-6, (2015) Closed vitrification poses a risk of adversely affecting embryo development, while it may minimize the risk of contamination. We assessed the effects of closed-system human embryo vitrification on fet... |
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Direct analysis in real time - high resolution mass spectrometry (DART-HRMS): a high throughput strategy for identification and quantification of anabolic steroid esters.
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Estradiol valerate |
(8R,9S,13S,14S,17S)-3-Hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ylpentanoat |
Estradiol, 17-valerate |
Climaval |
Estradiol 17β-valerate |
(17β)-3-hydroxyestra-1,3,5(10)-trien-17-yl pentanoate |
DELESTROGEN |
(17β)-3-hydroxyestra-1(10),2,4-trien-17-yl pentanoate |
EINECS 213-559-2 |
Pentanoic acid, (17β)-3-hydroxyestra-1(10),2,4-trien-17-yl ester |
17-β-ESTRADIOL 17-VALERATE |
Progynon-depot |
pentanoate de (8R,9S,13S,14S,17S)-3-hydroxy-13-méthyl-7,8,9,11,12,13,14,15,16,17-décahydro-6H-cyclopenta[a]phénanthrén-17-yle |
(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl pentanoate |
(17β)-3-Hydroxyestra-1(10),2,4-trien-17-yl valerate |
MFCD00056541 |
(17b)-3-Hydroxyestra-1(10),2,4-trien-17-yl Pentanoate |
Progynova |
β-Estradiol 17-valerate |