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
  • N1-(2-methoxybenzyl)-N2-(2-(3-methoxyphenyl)-2-morpholinoethyl)oxalamide
  • N1-(2-(4-fluorophenyl)-2-morpholinoethyl)-N2-(4-methoxyphenyl)oxalamide
  • 8-bromo-7-(3-(2,4-dichlorophenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
  • (E)-N'-((3-allyl-4-chloro-2-oxo-2,3-dihydrothiazol-5-yl)methylene)-2-phenylacetohydrazide
  • (E)-4-chloro-N-(3-(2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)hydrazinyl)-3-oxopropyl)benzenesulfonamide
  • 1-(3-hydroxypropyl)-3,9-dimethyl-7-(4-methylbenzyl)-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
  • 2-(7-Chloro-1-oxoisochroman-3-carboxamido)-3-methylbenzoic acid
  • 5-methyl-N-(2-oxo-2H-chromen-6-yl)-1-(m-tolyl)-1H-1,2,3-triazole-4-carboxamide
  • 2,4-Pentanediol, 2-acetate
  • 4-(4-chlorobenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(pyridin-2-yl)-1H-pyrrol-2(5H)-one
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