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31734

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
EC Number:
200-023-8
UNSPSC Code:
41116107
PubChem Substance ID:
329753907
Beilstein/REAXYS Number:
1914275
MDL number:
MFCD23102821
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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

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

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

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Pascal Pigeon et al.
Journal of medicinal chemistry, 48(8), 2814-2821 (2005-04-15)
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