Introduction：Basic information about CAS 565-99-1|Pregnane-11,20-dione,3-hydroxy-, (3a,5b)-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Pregnane-11,20-dione,3-hydroxy-, (3a,5b)- |
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| CAS Number | 565-99-1 | Molecular Weight | 332.47700 |
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| Density | 1.212g/cm3 | Boiling Point | 504ºC at 760mmHg |
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| Molecular Formula | C21H32O3 | Melting Point | / |
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| MSDS | / | Flash Point | 272.7ºC |
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Names
| Name | (3R,5R,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.212g/cm3 |
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| Boiling Point | 504ºC at 760mmHg |
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| Molecular Formula | C21H32O3 |
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| Molecular Weight | 332.47700 |
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| Flash Point | 272.7ºC |
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| Exact Mass | 332.23500 |
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| PSA | 54.37000 |
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| LogP | 3.77420 |
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| Index of Refraction | 1.562 |
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| InChIKey | DUHUCHOQIDJXAT-CSXWOMMHSA-N |
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| SMILES | CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TU4157900
- CHEMICAL NAME :
- 5-beta-Pregnane-11,20-dione, 3-alpha-hydroxy-
- CAS REGISTRY NUMBER :
- 565-99-1
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C21-H32-O3
- MOLECULAR WEIGHT :
- 332.53
- WISWESSER LINE NOTATION :
- L E5 B666 CVTJ A1 E1 FV1 OQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 68 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- 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 :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 160 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) 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
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Synonyms
| 11-Oxopregnanolone |
| 3alpha-Hydroxy-11,20-pregnadien |
| 3alpha-Hydroxy-5beta-pregnane-11,20-dione |
| Renanolone |
| 11-Ketopregnanolone |
