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