(3β,5α)-3-Hydroxypregnan-20-one 5ALPHA-孕甾-3BETA-醇-20-酮
CAS 516-55-2 MFCD00516552
化学结构图
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
化学属性
| Mol. Weight | 318 |
|---|---|
| Mol. Formula | C21H34O2 |
别名和识别编码
| Chemical Name Translation | 5ALPHA-孕甾-3BETA-醇-20-酮 |
|---|---|
| Wiswesser Line Notation | L E5 B666TJ A1 E1 FV1 OQ |
| Chemical Name | (3β,5α)-3-Hydroxypregnan-20-one |
| Synonym | U 0949 Allopregnanolone Pregnan-20-one, 3-hydroxy-, (3-beta,5-alpha)- 3-beta-Hydroxy-5-alpha-pregnan-20-one Isopregnanolone 3-beta-Allopregnanolone 5-alpha-Dihydropregnenolone |
| CAS Number | 516-55-2 |
| PubChem Substance ID | 92787 |
| InChI | InChI=1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1 |
| MDL Number |
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相关文献及参考
- [1]. Debatin T, et al. Effect of isopregnanolone on rapid tolerance to the anxiolytic effect of ethanol. Rev Bras Psiquiatr. 2006 Mar;28(1):18-23.
安全信息
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 40 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,117,1968
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