3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE 5β-孕烷-3α-醇-20-酮

CAS 128-20-1 MFCD00064935

化学结构图

128-20-1
SMILES: CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

化学属性

Mol. FormulaC21H34O2
Mol. Weight318.50 g/mol

别名和识别编码

Chemical Name3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE
MDL NumberMFCD00064935
CAS Number128-20-1
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 Number208-224-2
Chemical Name Translation5β-孕烷-3α-醇-20-酮
Wiswesser Line NotationL E5 B666TJ A1 E1 FV1 OQ
Beilstein Registry Number4785659
PubChem Substance ID31402
InChIInChI=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

WGK Germany3
RTECSTU4384000 
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

系列性分类

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