Introduction：Basic information about CAS 80-92-2|Pregnane-3,20-diol, (3α,5β,20S), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| 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 | / | 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 |
|---|
| InChIKey | YWYQTGBBEZQBGO-BERLURQNSA-N |
|---|
| SMILES | CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C |
|---|
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 DATAACUTE 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
Customs
Synonyms
| MFCD00064141 |
| Pregnane-3,20-diol, (3α,5β,20S) |
| EINECS 201-313-7 |
