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化合物简介
Allopregnanolone (ALLO), also known as 3α-hydroxy-5α-pregnan-20-one or 3α,5α-tetrahydroprogesterone (3α,5α-THP), is an endogenous inhibitory pregnane neurosteroid. It is synthesized from progesterone, and is a potent positive allosteric modulator of the action of gamma-amininobutyric acid (GABA) at GABAA receptor. Allopregnanolone has effects similar to those of other positive allosteric modulators of the GABA action at GABAA receptor such as the benzodiazepines, including anxiolytic, sedative, and anticonvulsant activity.
基本信息
CAS:516-54-1
中文别名:3Α-孕烷醇酮;5ALPHA-孕甾-3ALPHA-醇-20-酮;5α-Pregnan-3α-ol-20-one;
英文别名:(3α)-Allopregnanolone;3alpha-hydroxy-5alpha-pregnan-20-one;Pregnan-20-one, 3-hydroxy-, (3α,5α)-;ALLOPREGNAN-3ALPHA-OL-20-ONE;
分子式:C21H34O2
分子量:318.493
精确质量:318.256
Psa:37.3
Logp:4.5952
中文别名:3Α-孕烷醇酮;5ALPHA-孕甾-3ALPHA-醇-20-酮;5α-Pregnan-3α-ol-20-one;
英文别名:(3α)-Allopregnanolone;3alpha-hydroxy-5alpha-pregnan-20-one;Pregnan-20-one, 3-hydroxy-, (3α,5α)-;ALLOPREGNAN-3ALPHA-OL-20-ONE;
分子式:C21H34O2
分子量:318.493
精确质量:318.256
Psa:37.3
Logp:4.5952
编号系统
UNII:S39XZ5QV8Y
物化性质
密度:1.053g/cm3
沸点:431.2ºC at 760mmHg
闪点:183.9ºC
折射率:1.524
储存条件:Store at RT
沸点:431.2ºC at 760mmHg
闪点:183.9ºC
折射率:1.524
储存条件:Store at RT
安全信息
安全说明:S22; S24/25
生产方法及用途
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图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)
