5-beta-pregnane-3-alpha,20-beta-diol

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Names

[ CAS No. ]:
80-91-1

[ Name ]:
5-beta-pregnane-3-alpha,20-beta-diol

[Synonym ]:
5alpha-Pregnane-3alpha,20alpha-diol
5|A-Pregnane-3|A,20|A-diol
3|A,20|A-Dihydroxy-5|A-pregnane
Allopregnanediol
Allopregnane-3alpha,20alpha-diol
Allopregnane-3|A,20|A-diol
(3|A,5|A,20s)-pregnane-3,20-diol

Chemical & Physical Properties

[ Density]:
1.053g/cm3

[ Boiling Point ]:
435.9ºC at 760 mmHg

[ Molecular Formula ]:
C21H36O2

[ Molecular Weight ]:
320.50900

[ Flash Point ]:
191ºC

[ Exact Mass ]:
320.27200

[ PSA ]:
40.46000

[ LogP ]:
4.38700

[ Index of Refraction ]:
1.531

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU4157110
CHEMICAL NAME :
5-beta-Pregnane, 3-alpha,20-beta-dihydroxy-
CAS REGISTRY NUMBER :
80-91-1
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H36-O2
MOLECULAR WEIGHT :
320.57
WISWESSER LINE NOTATION :
L E5 B666TJ A1 E1 FYQ1 OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Behavioral - tremor 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

Related Compounds

  • 5-beta-pregnane-3-alpha,11-alpha,20-beta-triol
  • Pregnane-3,20-dione, 17-[(trimethylsilyl)oxy]-, bis(O-methyloxime), (5 beta)-
  • 5-BETA-ANDROSTAN-3-ALPHA, 17-BETA-DIOL-11-ONE
  • 5-CHOLESTEN-2-BETA, 3-BETA-DIOL
  • (20S)-5-beta-pregnane-3alpha,20-diol diacetate
  • NSC-12
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
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  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine