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Supelco

β-Estradiol hemihydrate

VETRANAL®, analytical standard

Synonym(s):

1,3,5-Estratriene-3,17β-diol, 3,17β-Dihydroxy-1,3,5(10)-estratriene

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About This Item

Empirical Formula (Hill Notation):
C18H24O2 · 0.5H2O
CAS Number:
35380-71-3
Molecular Weight:
281.39
Beilstein/REAXYS Number:
1914275
EC Number:
200-023-8
MDL number:
MFCD23102821
UNSPSC Code:
41116107
PubChem Substance ID:
329753907

grade

analytical standard

product line

VETRANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

application(s)

clinical testing

format

neat

SMILES string

O.C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O.C[C@]56CC[C@H]7[C@@H](CCc8cc(O)ccc78)[C@@H]5CC[C@@H]6O

InChI

1S/2C18H24O2.H2O/c2*1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;/h2*3,5,10,14-17,19-20H,2,4,6-9H2,1H3;1H2/t2*14-,15-,16+,17+,18+;/m11./s1

InChI key

ZVVGLAMWAQMPDR-WVEWYJOQSA-N

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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.

Legal Information

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

pictograms

Health hazardEnvironment
GHS08,GHS09

signalword

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 2 - Lact. - Repr. 1A

Storage Class

6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
SZBE203XV
SZBD086XV
SZEA033XV
SZBA033X
SZE7015X

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Pascal Pigeon et al.
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A series of ruthenocene derivatives, 1-[4-(O(CH(2))(n)()N(CH(3))(2))phenyl]-1-(4-hydroxyphenyl)-2-ruthenocenylbut-1-ene, with n = 2-5, based on the structure of the breast cancer drug tamoxifen has been prepared. These compounds were obtained, via a McMurry cross-coupling reaction, as a mixture of Z and E isomers
Steffen Renner et al.
Nature chemical biology, 5(8), 585-592 (2009-06-30)
The structure- and chemistry-based hierarchical organization of library scaffolds in tree-like arrangements provides a valid, intuitive means to map and navigate chemical space. We demonstrate that scaffold trees built using bioactivity as the key selection criterion for structural simplification during
James S Wright et al.
Journal of medicinal chemistry, 54(2), 433-448 (2010-12-31)
Long-term use of estrogen supplements by women leads to an increased risk of breast and uterine cancers. Possible mechanisms include metabolism of estradiol and compounds related to tumor-initiating quinones, and ligand-induced activation of the estrogen receptors ERα and ERβ which
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The Journal of biological chemistry, 282(27), 19385-19398 (2007-05-22)
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The New England journal of medicine, 369(11), 1011-1022 (2013-09-13)
Current approaches to diagnosing testosterone deficiency do not consider the physiological consequences of various testosterone levels or whether deficiencies of testosterone, estradiol, or both account for clinical manifestations. We provided 198 healthy men 20 to 50 years of age with
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