Pregnane-3,20-diol, (3α,5β,20S)
Names
[ CAS No. ]:
80-92-2
[ Name ]:
Pregnane-3,20-diol, (3α,5β,20S)
[Synonym ]:
MFCD00064141
Pregnane-3,20-diol, (3α,5β,20S)
EINECS 201-313-7
Chemical & Physical Properties
[ Density]:
1.053g/cm3
[ Boiling Point ]:
435.9ºC at 760 mmHg
[ Melting Point ]:
240-242ºC
[ 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
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TU4157113
- CHEMICAL NAME :
- 5-beta-Pregnane-3-alpha, 20-alpha-diol
- CAS REGISTRY NUMBER :
- 80-92-2
- BEILSTEIN REFERENCE NO. :
- 3083715
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 4
- 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 :
- 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 :
- 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
- 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 :
- 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
Safety Information
[ HS Code ]:
2942000000
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2942000000