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化合物简介
Mestranol (INN, USAN, BAN, JAN) (brand names Devocin, Ovastol, Tranel), also known as ethinyl estradiol methyl ether (EEME), is a synthetic, steroidal estrogen that has been widely used medically. It was employed as the estrogen component in many of the first oral contraceptives, such as mestranol/noretynodrel (brand names Enovid, Enavid), and is still in use today. It was also a component of Ortho-Novin, Femigen, and Norbiogest. In addition to its use as an oral contraceptive, mestranol has been used as a component of hormone replacement therapy.
基本信息
CAS:72-33-3
中文别名:(17α)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol;3-甲氧基-17α-乙炔雌二醇;炔雌醇甲醚;
英文别名:SC 4725;Norquen;RS 1044;d-MVE;EE3ME;19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17 -)-;17a-Ethynyl-1,3,5(10)-estratriene-3,17b-diol 3-methyl ether;Mestranol;Devocin;Ovastol;
分子式:C21H26O2
分子量:310.43
精确质量:310.193
Psa:29.46
Logp:3.9156
中文别名:(17α)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol;3-甲氧基-17α-乙炔雌二醇;炔雌醇甲醚;
英文别名:SC 4725;Norquen;RS 1044;d-MVE;EE3ME;19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17 -)-;17a-Ethynyl-1,3,5(10)-estratriene-3,17b-diol 3-methyl ether;Mestranol;Devocin;Ovastol;
分子式:C21H26O2
分子量:310.43
精确质量:310.193
Psa:29.46
Logp:3.9156
编号系统
UNII:B2V233XGE7
物化性质
外观与性状:结晶固体
密度:0.905g/cm3
沸点:464.1ºC at 760 mmHg
熔点:153-155°C(lit.)
闪点:224.1ºC
折射率:1.49
储存条件:-20ºC Freezer
密度:0.905g/cm3
沸点:464.1ºC at 760 mmHg
熔点:153-155°C(lit.)
闪点:224.1ºC
折射率:1.49
储存条件:-20ºC Freezer
安全信息
RTECS号:RC8960000
安全说明:S22; S26; S36/37/39; S45; S36/37
WGK Germany:3
危险类别码:R36/37/38; R40; R48
危险品标志:Xn
危险性描述:H315; H319; H351
危险标志:GHS07, GHS08
信号词:Warning
危险性防范说明:P281; P305 + P351 + P338
安全说明:S22; S26; S36/37/39; S45; S36/37
WGK Germany:3
危险类别码:R36/37/38; R40; R48
危险品标志:Xn
危险性描述:H315; H319; H351
危险标志:GHS07, GHS08
信号词:Warning
危险性防范说明:P281; P305 + P351 + P338
生产方法及用途
用途
主要用于卵巢功能不全、闭经、功能性子宫出血、更年期综合征等。
主要用于卵巢功能不全、闭经、功能性子宫出血、更年期综合征等。
合成路线
-
参考文献
Wong, Fung Fuh; Chuang, Shih Hsien; Yang, Sheng-chuan; Lin, Yu-Hsiang; Tseng, Wen-Che; Lin, Shao-Kai; Huang, Jiann-Jyh Tetrahedron, 2010 , vol. 66, # 23 p. 4068 - 4072
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

Mass spectrum (electron ionization)

Mass

IR : nujol mull

IR : KBr disc
