3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE 5β-孕烷-3α-醇-20-酮
CAS 128-20-1 MFCD00064935
化学结构图
SMILES: CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
化学属性
| Mol. Formula | C21H34O2 |
|---|---|
| Mol. Weight | 318.50 g/mol |
别名和识别编码
| Chemical Name | 3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE |
|---|---|
| MDL Number | MFCD00064935 |
| CAS Number | 128-20-1 |
| Synonym | 3β-Hydroxy-5α-pregnan-20-one 3β-Hydroxy-5α-tetrahydroprogesterone 5α-Dihydropregnenolone Allopregnanolone Isopregnanolone 3-alpha-Hydroxy-5-beta-pregnan-20-one 5beta-Pregnan-3alpha-ol-20-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} ALLOPREGNANOLONE |
| EC Number | 208-224-2 |
| Chemical Name Translation | 5β-孕烷-3α-醇-20-酮 |
| Wiswesser Line Notation | L E5 B666TJ A1 E1 FV1 OQ |
| Beilstein Registry Number | 4785659 |
| PubChem Substance ID | 31402 |
| 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-/m1/s1 |
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安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 66 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
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 27500 ug/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
其他信息
- Sigma Aldrich:516-55-2(sigmaaldrich)
- MOL 文件:516-55-2.mol
