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Merck
CN

46320

Hexestrol

VETRANAL®, analytical standard

Synonym(s):

4,4′-(1,2-Diethylethylene)diphenol, meso-3,4-Bis(4-hydroxyphenyl)hexane, Dihydrodiethylstilbestrol

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About This Item

Empirical Formula (Hill Notation):
C18H22O2
CAS Number:
84-16-2
Molecular Weight:
270.37
EC Number:
201-518-1
UNSPSC Code:
41116107
PubChem Substance ID:
329757136
Beilstein/REAXYS Number:
3209460
MDL number:
MFCD00068996

Key Documents

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Product Name

Hexestrol, VETRANAL®, analytical standard

InChI key

PBBGSZCBWVPOOL-HDICACEKSA-N

InChI

1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+

SMILES string

CC[C@H]([C@H](CC)c1ccc(O)cc1)c2ccc(O)cc2

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)

pharmaceutical (small molecule)

format

neat

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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

hcodes

H350

Hazard Classifications

Carc. 1B

Storage Class

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

wgk

WGK 2

ppe

Eyeshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
BCCF6937
BCBZ6874
BCBR8880V

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Weixuan Lin et al.
Se pu = Chinese journal of chromatography, 27(3), 294-298 (2009-10-07)
A method of gas chromatography-mass spectrometry (GC-MS) for the simultaneous determination of nine sex hormone residues, such as hexestrol, diethylstilbestrol, dienestrol, etiocholan-3alpha-ol-17-one, epitestosterone, estrone, estradiol, ethinylestradiol and estriol, in animal tissues was developed. The sex hormones were extracted with acetonitrile
Muhammad Saeed et al.
Steroids, 70(1), 37-45 (2004-12-22)
The nonsteroidal synthetic estrogen hexestrol (HES), which is diethylstilbestrol hydrogenated at the C-3-C-4 double bond, is carcinogenic. Its major metabolite is the catechol, 3'-OH-HES, which can be metabolically converted to the catechol quinone, HES-3',4'-Q. Study of HES was undertaken with
Catherine Hulot et al.
Journal of the American Chemical Society, 130(15), 5046-5047 (2008-03-20)
Fenestranes are regarded as a particularly challenging synthetic targets, and only few syntheses have been reported in the recent past. These rare compounds of synthetic and theoretical interest are a class of tetracyclic skeletons, defined as doubly a,a'-bridged spiroalkanes. The
Karol L Thompson et al.
International journal of toxicology, 31(1), 14-24 (2012-01-24)
Cationic amphiphilic drugs and aminoglycoside antibiotics can induce phospholipidosis (PLD), an abnormal accumulation of phospholipids in lysosome-derived vesicles, in preclinical studies. The incidence of PLD in patients and its clinical relevance are difficult to assess without noninvasive biomarkers. Di-docosahexaenoyl bis(monoacylglycerol)phosphate
A R Pop et al.
Romanian journal of morphology and embryology = Revue roumaine de morphologie et embryologie, 52(1 Suppl), 413-417 (2011-04-01)
The research was performed on 24 male sexually mature domestic rabbits, divided in two equal batches. The rabbits from the first batch were administered 0.5 mg/kg of body weight hexestrol diacetate intramuscularly twice a week for four consecutive weeks. Batch
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