CAS 56588-58-0|3-Hydroxy(16,16-2H2)estra-1,3,5(10)-trien-17-one

Introduction：Basic information about CAS 56588-58-0|3-Hydroxy(16,16-2H2)estra-1,3,5(10)-trien-17-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	3-Hydroxy(16,16-2H2)estra-1,3,5(10)-trien-17-one
CAS Number	56588-58-0	Molecular Weight	272.38
Density	1.2±0.1 g/cm3	Boiling Point	445.2±45.0 °C at 760 mmHg
Molecular Formula	C₁₈H₂₀D₂O₂	Melting Point	/
MSDS	/	Flash Point	189.7±21.3 °C

Names

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
Synonym	More Synonyms

BiologicalActivity

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	Signaling Pathways >>Others >>Estrogen Receptor/ERR
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.

Chemical & Physical Properties

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
InChIKey	DNXHEGUUPJUMQT-XIMAIENTSA-N
SMILES	CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O

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

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