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Merck
CN

46573

Estrone

VETRANAL®, analytical standard

Synonym(s):

1,3,5(10)-Estratrien-3-ol-17-one, 3-Hydroxy-1,3,5(10)-estratrien-17-one, Folliculin

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About This Item

Empirical Formula (Hill Notation):
C18H22O2
CAS Number:
53-16-7
Molecular Weight:
270.37
EC Number:
200-164-5
UNSPSC Code:
41116107
PubChem Substance ID:
329757214
Beilstein/REAXYS Number:
1915077
MDL number:
MFCD00003620

Key Documents

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InChI key

DNXHEGUUPJUMQT-CBZIJGRNSA-N

InChI

1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1

SMILES string

C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O

grade

analytical standard

product line

VETRANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

mp

258-260 °C (lit.)

application(s)

pharmaceutical (small molecule)

format

neat

Quality Level

200

Gene Information

human ... ESR1(2099)

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Legal Information

VETRANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

Health hazard
GHS08

signalword

Danger

Hazard Classifications

Carc. 2 - Lact. - Repr. 1A

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type P2 (EN 143) respirator cartridges

Regulatory Information

涉药品监管产品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCG6639
BCCB6518

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Emma M Ferguson et al.
Water research, 47(4), 1604-1615 (2013-01-12)
Estuaries are often the final repositories for aquatic pollutants but how estuarine hydrology influences the availability of marine- and freshwater-derived pollutants is not well understood, particularly for micro-pollutants such as endocrine disrupting chemicals. To address this knowledge gap, this study
Annamaria Lilienkampf et al.
Journal of medicinal chemistry, 52(21), 6660-6671 (2009-10-15)
Many breast tumors are hormone-dependent, and estrogens, especially estradiol (E2), have a pivotal role in their growth and development. 17beta-Hydroxysteroid dehydrogenase type 1 (17beta-HSD1) is a key enzyme in the biosynthesis of female sex steroids, catalyzing the NADPH-dependent reduction of
Juilee Rege et al.
The Journal of clinical endocrinology and metabolism, 98(3), 1182-1188 (2013-02-07)
A broad analysis of adrenal gland-derived 19-carbon (C19) steroids has not been reported. This is the first study that uses liquid chromatography-tandem mass spectrometry to quantify 9 C19 steroids (androgens and their precursors), estrone, and estradiol in the adrenal vein
Yannick Laplante et al.
Bioorganic & medicinal chemistry, 16(4), 1849-1860 (2007-11-24)
Estrogens play an important role in the development of breast cancer. Inhibiting 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1)--the enzyme responsible for the last step in the biosynthesis of the most potent estrogen, estradiol (E2)--would thus allow hindering the growth of estrogen-sensitive
Shanshan Zhao et al.
Breast cancer research : BCR, 16(2), R30-R30 (2014-03-29)
Paradoxically, a breast cancer risk reduction with conjugated equine estrogens (CEE) and a risk elevation with CEE plus medroxyprogesterone acetate (CEE + MPA) were observed in the Women's Health Initiative (WHI) randomized controlled trials. The effects of hormone therapy on serum sex
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