5Β-Pregnane-3Α,20Α-Diol 5β-孕烷-3α,20α-二醇

CAS 80-92-2 MFCD00064141

化学结构图

80-92-2
SMILES: C[C@@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C |&1:1,3,6,7,10,12,16,18,21|

化学属性

Mol. FormulaC21 H36 O2
Mol. Weight320.51

别名和识别编码

Chemical Name5Β-Pregnane-3Α,20Α-Diol
CAS Number80-92-2
Synonym (3?,5?),20S)- 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3α, 20α-Dihydroxy-5β-pregnane 3α,20α-Dihydroxy-5β-pregnane 5-Beta-Pregnane-3-Alpha,20-Alpha-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5b-Pregnane-3a,20a-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} 5-β-pregnane-3-α,20-α-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {hazard_com} 5-beta-Pregnane, 3-alpha,20-alpha-dihydroxy- {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00064141
Reaxys-RN3083715
Beilstein Registry Number6(3)4779
PubChem Substance ID87574831
Merck Number7727
Chemical Name Translation5β-孕烷-3α,20α-二醇
Wiswesser Line NotationL E5 B666TJ A1 E1 FYQ1 OQ
LabNetwork Molecule IDLN01310949
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分类

  • Metabolites & Impurities
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • Steroids
  • {uni_hamburg} no charge; carbocycle; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 13ring; 14ring; 17ring; alcohol; chiral; 1fragment

产品应用

  • 5?-Pregnane-3?,20?-diol is a metabolite of Progesterone (P755900).

相关文献及参考

  • ########
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • Short: III/5b Title: Structure Data of Organic Crystals: C 14 ... C 120 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5b Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.
  • [1]. H ROBERTSON, et al. Pregnanediol in the urine of the ewe. Nature. 1958 Nov 29;182(4648):1512-3.Sci Tota

安全信息

RTECSTU4157113 
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >40 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - other changes
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            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 7 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - other changes
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       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,709,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,709,1982

Storage condition -20°C

系列性分类

  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Steroids
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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