Pregnane-3,20-diol, (3α,5β,20S)

Modify Date: 2024-01-03 12:23:49

Pregnane-3,20-diol, (3α,5β,20S) Structure
Pregnane-3,20-diol, (3α,5β,20S) structure
Common Name Pregnane-3,20-diol, (3α,5β,20S)
CAS Number 80-92-2 Molecular Weight 320.50900
Density 1.053g/cm3 Boiling Point 435.9ºC at 760 mmHg
Molecular Formula C21H36O2 Melting Point 240-242ºC
MSDS N/A Flash Point 191ºC

 Names

Name 5β-Pregnane-3α,20α-diol
Synonym More Synonyms

 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

 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

 Customs

HS Code 2942000000

 Synonyms

MFCD00064141
Pregnane-3,20-diol, (3α,5β,20S)
EINECS 201-313-7