Introduction：Basic information about CAS 53-02-1|Pregnan-20-one,3,11,17,21-tetrahydroxy-, (3a,5b,11b)-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Pregnan-20-one,3,11,17,21-tetrahydroxy-, (3a,5b,11b)- |
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| CAS Number | 53-02-1 | Molecular Weight | 366.49200 |
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| Density | 1.253g/cm3 | Boiling Point | 65-67ºC(lit.) |
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| Molecular Formula | C21H34O5 | Melting Point | -108ºC(lit.) |
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| MSDS | / | Flash Point | 297.6ºC |
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Names
| Name | tetrahydrocortisol |
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| Synonym | More Synonyms |
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BiologicalActivity
| Description | Tetrahydrocortisol is cortisol metabolite. The urinary Tetrahydrocortisol/Tetrahydrocortisone ratio decreases with increasing 11β-hydroxysteroid dehydrogenase (11β-HSD) activity[1][2]. |
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| Target | Human Endogenous Metabolite |
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| References | [1]. Webster SP, et al. Selection and early clinical evaluation of the brain-penetrant 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor UE2343 (Xanamem™). Br J Pharmacol. 2017 Mar;174(5):396-408. [2]. Turpeinen U, et al. Determination of free tetrahydrocortisol and tetrahydrocortisone ratio in urine by liquid chromatography-tandem mass spectrometry. Scand J Clin Lab Invest. 2006;66(2):147-59. |
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Chemical & Physical Properties
| Density | 1.253g/cm3 |
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| Boiling Point | 65-67ºC(lit.) |
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| Melting Point | -108ºC(lit.) |
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| Molecular Formula | C21H34O5 |
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| Molecular Weight | 366.49200 |
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| Flash Point | 297.6ºC |
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| Exact Mass | 366.24100 |
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| PSA | 97.99000 |
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| LogP | 1.65330 |
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| Index of Refraction | n20/D 1.407(lit.) |
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| InChIKey | AODPIQQILQLWGS-GXBDJPPSSA-N |
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| SMILES | CC12CCC(O)CC1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO |
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| Storage condition | -20°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TU4460000
- CHEMICAL NAME :
- 5-beta-Pregnan-20-one, 3-alpha,11-beta,17,21-tetrahydroxy-
- CAS REGISTRY NUMBER :
- 53-02-1
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C21-H34-O5
- MOLECULAR WEIGHT :
- 366.55
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA - TYPE OF TEST :
- DNA adduct
- TEST SYSTEM :
- Human Liver
- DOSE/DURATION :
- 2 mmol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 370,49,1996
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Safety Information
| Hazard Codes | Xi |
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| Risk Phrases | 36/37 |
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| RIDADR | UN 2056 3/PG 2 |
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| RTECS | LU5950000 |
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Synonyms
| 5beta-Tetrahydrocortisol |
| Urocortisol |
| 3alpha,5beta-Tetrahydrocortisol |
| Cortisol,tetrahydro |
| Tetrahydro F |
| Tetrahydrohydrocortisone |
| Tetrahydrocompound F |
| 2-hydroxy-1-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone |
| Ba 2682 |
