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56588-58-0

56588-58-0 structure
56588-58-0 structure
  • Name: 3-Hydroxy(16,16-2H2)estra-1,3,5(10)-trien-17-one
  • Chemical Name: (8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
  • CAS Number: 56588-58-0
  • Molecular Formula: C18H20D2O2
  • Molecular Weight: 272.38
  • Catalog: Signaling Pathways Others Estrogen Receptor/ERR
  • Create Date: 2018-09-13 15:42:28
  • Modify Date: 2024-01-09 18:30:17
  • Estrone-d2-1 is the deuterium labeled Estrone. Estrone (E1) is a natural estrogenic hormone. Estrone is the main representative of the endogenous estrogens and is produced by several tissues, especially adipose tissue. Estrone is the result of the process of aromatization of androstenedione that occurs in fat cells[1][2].
Name (8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Synonyms Estra-1,3,5(10)-trien-17-one-16,16-d, 3-hydroxy-
3-Hydroxy-17-keto-estra-1,3,5-triene-d2
Wynestron-d2
Cristallovar-d2
Crystogen-d2
Crinovaryl-d2
Aquacrine-d2
3-Hydroxy(16,16-H)estra-1,3,5(10)-trien-17-one
Description Estrone-d2-1 is the deuterium labeled Estrone. Estrone (E1) is a natural estrogenic hormone. Estrone is the main representative of the endogenous estrogens and is produced by several tissues, especially adipose tissue. Estrone is the result of the process of aromatization of androstenedione that occurs in fat cells[1][2].
Related Catalog
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].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.

[2]. Caupos E, et al. Photodegradation of estrone enhanced by dissolved organic matter under simulated sunlight. Water Res. 2011;45(11):3341-3350.

[3]. de Padua Mansur A, et al. Long-term prospective study of the influence of estrone levels on events in postmenopausal women with or at high risk for coronary artery disease. ScientificWorldJournal. 2012;2012:363595.
Density 1.2±0.1 g/cm3
Boiling Point 445.2±45.0 °C at 760 mmHg
Molecular Formula C18H20D2O2
Molecular Weight 272.38
Flash Point 189.7±21.3 °C
Exact Mass 272.174530
PSA 37.30000
LogP 3.69
Vapour Pressure 0.0±1.1 mmHg at 25°C
Index of Refraction 1.587
Precursor  1

DownStream  2


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