5-beta-Pregnane-11,20-dione, 3-alpha-hydroxy-

CAS 565-99-1 MFCD00199955

化学结构图

565-99-1
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C

化学属性

Mol. FormulaC21H32O3
Mol. Weight332.53

别名和识别编码

Chemical Name5-beta-Pregnane-11,20-dione, 3-alpha-hydroxy-
Wiswesser Line NotationL E5 B666 CVTJ A1 E1 FV1 OQ
Synonym U 1894 11-Ketopregnanolone Pregnane-11,20-dione, 3-hydroxy-, (3-alpha,5-beta)- 5-beta-Alphaxalone 3-alpha-Hydroxy-5-beta-pregnane-11,20-dione Renanolone
CAS Number565-99-1
PubChem Substance ID68930
InChIInChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14-,15+,16-,17+,19-,20+,21-/m1/s1
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安全信息

RTECSTU4157900 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 160 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
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           : 68 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

系列性分类

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