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53866-34-5

53866-34-5 structure
53866-34-5 structure
  • Name: estrone-2,4,16,16-d4
  • Chemical Name: (8R,9S,13S,14S)-2,4,16,16-tetradeuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
  • CAS Number: 53866-34-5
  • Molecular Formula: C18H18D4O2
  • Molecular Weight: 274.391
  • Catalog: Chemical reagent Deuterated reagent
  • Create Date: 2018-08-05 16:06:25
  • Modify Date: 2024-01-02 10:17:27
  • Estrone-d4 (E1-d4) 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)-2,4,16,16-tetradeuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Synonyms Wynestron-d4
2,4,16,16-D4-estrone
Estra-1,3,5(10)-trien-17-one-2,4,16,16-d, 3-hydroxy-
Cristallovar-d4
Crinovaryl-d4
Estrone-2,4,16,16-d4
Aquacrine-d4
Crystogen-d4
E1-2,4,16,16-d4
3-Hydroxy(2,4,16,16-H)estra-1,3,5(10)-trien-17-one
MFCD01074157
Description Estrone-d4 (E1-d4) 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
Melting Point 258-260ºC(lit.)
Molecular Formula C18H18D4O2
Molecular Weight 274.391
Flash Point 189.7±21.3 °C
Exact Mass 274.187073
PSA 37.30000
LogP 3.69
Vapour Pressure 0.0±1.1 mmHg at 25°C
Index of Refraction 1.587
Storage condition -20°C Freezer
Symbol GHS08
GHS08
Signal Word Danger
Hazard Statements H350-H360
Precautionary Statements P201-P308 + P313
Hazard Codes T
Risk Phrases 60-61
Safety Phrases 53-22-36/37/39-45
RIDADR NONH for all modes of transport
WGK Germany 3
53-16-7 structure

53-16-7

~95%

53866-34-5 structure

53866-34-5

Literature: Kiuru, Paula S; Waehaelae, Kristiina Tetrahedron Letters, 2002 , vol. 43, # 18 p. 3411 - 3412
56588-58-0 structure

56588-58-0

~%

53866-34-5 structure

53866-34-5

Literature: Steroids, , vol. 65, # 12 p. 883 - 888
Precursor  2

DownStream  1


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title: CAS No. 53866-34-5 | Chemsrc address: https://m.chemsrc.com/en/baike/684949.html

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