Introduction：Basic information about CAS 570-52-5|Pregnan-20-one,3,17-dihydroxy-, (3a,5b)-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Pregnan-20-one,3,17-dihydroxy-, (3a,5b)- |
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| CAS Number | 570-52-5 | Molecular Weight | 334.49300 |
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| Density | 1.123g/cm3 | Boiling Point | 465.4ºC at 760 mmHg |
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| Molecular Formula | C21H34O3 | Melting Point | / |
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| MSDS | / | Flash Point | 249.4ºC |
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Names
| Name | Pregnan-20-one,3,17-dihydroxy-, (3a,5b) |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.123g/cm3 |
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| Boiling Point | 465.4ºC at 760 mmHg |
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| Molecular Formula | C21H34O3 |
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| Molecular Weight | 334.49300 |
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| Flash Point | 249.4ºC |
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| Exact Mass | 334.25100 |
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| PSA | 57.53000 |
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| LogP | 3.71010 |
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| Index of Refraction | 1.544 |
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| InChIKey | LKQDFQLSEHWIRK-UKBVDAKRSA-N |
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| SMILES | CC(=O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3CCC21C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TU4381200
- CHEMICAL NAME :
- 5-beta-Pregnan-20-one, 3-alpha,17-alpha-dihydroxy-
- CAS REGISTRY NUMBER :
- 570-52-5
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C21-H34-O3
- MOLECULAR WEIGHT :
- 334.55
- WISWESSER LINE NOTATION :
- L E5 B666TJ A1 E1 FV1 FQ OQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 160 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
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Synonyms
| 5B-pregnane-3A-17A-diol-20-one |
| 3ALPHA,17ALPHA-Dihydroxy-5B-pregnan-20-one |
| 5BETA-PREGNAN-3ALPHA,17ALPHA-DIOL-20-ONE |
