CAS 366495-94-5|16b-Hydroxyestradiol

Introduction：Basic information about CAS 366495-94-5|16b-Hydroxyestradiol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 16b-Hydroxyestradiol BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	16b-Hydroxyestradiol
CAS Number	366495-94-5	Molecular Weight	290.39
Density	1.3±0.1 g/cm3	Boiling Point	469.0±45.0 °C at 760 mmHg
Molecular Formula	C₁₈H₂₂D₂O₃	Melting Point	/
MSDS	/	Flash Point	220.8±23.3 °C

Names

Name	16beta-hydroxy-17beta-estradiol-2,4-d2
Synonym	More Synonyms

16b-Hydroxyestradiol BiologicalActivity

Description	16β-Hydroxy-17β-estradiol-2,4-d2 is the deuterium labeled 16β-Hydroxy-17β-estradiol-2,4[1].
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]. Brinton LA, et al. Serum Estrogens and Estrogen Metabolites and Endometrial Cancer Risk among Postmenopausal Women. Cancer Epidemiol Biomarkers Prev. 2016 Jul;25(7):1081-9. [3]. Skariyachan S, et al. Natural epiestriol-16 act as potential lead molecule against prospective molecular targets of multidrug resistant Acinetobacter baumannii-Insight from in silico modelling and in vitro investigations. Infect Genet Evol. 2020 Aug;82:104314. [4]. Latman NS, et al. 16-epiestriol: an anti-inflammatory steroid without glycogenic activity. J Pharm Sci. 1994 Jun;83(6):874-7.

Description

16β-Hydroxy-17β-estradiol-2,4-d2 is the deuterium labeled 16β-Hydroxy-17β-estradiol-2,4[1].

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]. Brinton LA, et al. Serum Estrogens and Estrogen Metabolites and Endometrial Cancer Risk among Postmenopausal Women. Cancer Epidemiol Biomarkers Prev. 2016 Jul;25(7):1081-9.

[3]. Skariyachan S, et al. Natural epiestriol-16 act as potential lead molecule against prospective molecular targets of multidrug resistant Acinetobacter baumannii-Insight from in silico modelling and in vitro investigations. Infect Genet Evol. 2020 Aug;82:104314.

[4]. Latman NS, et al. 16-epiestriol: an anti-inflammatory steroid without glycogenic activity. J Pharm Sci. 1994 Jun;83(6):874-7.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	469.0±45.0 °C at 760 mmHg
Molecular Formula	C₁₈H₂₂D₂O₃
Molecular Weight	290.39
Flash Point	220.8±23.3 °C
Exact Mass	288.172546
PSA	60.69000
LogP	2.94
Vapour Pressure	0.0±1.2 mmHg at 25°C
Index of Refraction	1.624
InChIKey	PROQIPRRNZUXQM-FMPUZFRRSA-N
SMILES	CC12CCC3c4ccc(O)cc4CCC3C1CC(O)C2O

Synonyms

D1,3,5-Estratriene-3,16b,17b-triol

16-Epioestriol

Estra-1,3,5(10)-triene-3,16β,17β-triol

(16β,17β)-Estra-1,3,5(10)-triene-3,16,17-triol

(16b,17b)-Estra-1,3,5(10)-triene-3,16,17-triol

Estra-1,3,5(10)-triene-3,16b,17b-triol

Actriol

16b,17b-Estriol

16β,17β-Estriol

epiestriol

Estra-1,3,5(10)-triene-3,16,17-triol, (16β,17β)-

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