Introduction：Basic information about CAS 56588-54-6|Equilenin-4,16,16-d3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Equilenin-4,16,16-d3 |
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| CAS Number | 56588-54-6 | Molecular Weight | 269.35 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 472.6±45.0 °C at 760 mmHg |
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| Molecular Formula | C18H15D3O2 | Melting Point | / |
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| MSDS | / | Flash Point | 200.9±21.3 °C |
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Names
| Name | (13S,14S)-4,16,16-trideuterio-3-hydroxy-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-17-one |
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| Synonym | More Synonyms |
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Equilenin-4,16,16-d3 BiologicalActivity
| Description | Equilenin-4,16,16-d3 is the deuterium labeled Equilenin-4,16,16. |
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| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
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| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 472.6±45.0 °C at 760 mmHg |
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| Molecular Formula | C18H15D3O2 |
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| Molecular Weight | 269.35 |
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| Flash Point | 200.9±21.3 °C |
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| Exact Mass | 269.149506 |
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| PSA | 37.30000 |
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| LogP | 3.76 |
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| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
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| Index of Refraction | 1.663 |
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| InChIKey | PDRGHUMCVRDZLQ-POWJHRNTSA-N |
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| SMILES | CC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O |
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Synonyms
| 3-Hydroxy(4,16,16-H)estra-1(10),2,4,6,8-pentaen-17-one |
| 4,16,16-Trideuteroequilenin |
| Equilenin-d3 |
| Estra-1(10),2,4,6,8-pentaen-17-one-4,16,16-d, 3-hydroxy- |
| E 400-d3 |
| Equilenine-d3 |
| d-Equilenin-d3 |
| 3-Hydroxyestra-1,3,5,7,9-pentaen-17-one-d3 |
