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CAS 285979-80-8

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estrone-2,4,16,16-D4 3-sulfate, sodium salt

Description:
Estrone-2,4,16,16-D4 3-sulfate, sodium salt, is a synthetic derivative of estrone, a naturally occurring estrogen. This compound is characterized by the presence of deuterium isotopes at specific carbon positions, which allows for its use in various biochemical studies, particularly in tracing and metabolic research. The sulfate group enhances its solubility in water and may influence its biological activity and interaction with estrogen receptors. As a sodium salt, it is typically more stable and easier to handle in laboratory settings. Estrone itself plays a crucial role in the regulation of reproductive processes and is involved in various physiological functions. The specific isotopic labeling in this compound can be utilized in pharmacokinetic studies to track its metabolism and distribution in biological systems. Overall, estrone-2,4,16,16-D4 3-sulfate, sodium salt serves as a valuable tool in endocrinology and pharmacology for understanding estrogen-related mechanisms.
Formula:C18H17D4NaO5S
InChI:InChI=1/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/i3D,7D2,10D;
SMILES:CC12CCC3c4ccc(cc4CCC3C1CCC2=O)OS(=O)(=O)O.[Na]
Synonyms:
  • sodium 17-oxo(2,4,16,16-2H4)estra-1,3,5(10)-trien-3-yl sulfate
  • Estrone-2,4,16,16-d4 3-sulfate sodium salt
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