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Merck
CN

H7753

Hexestrol

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
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329815246
EC Number:
201-518-1
Beilstein/REAXYS Number:
3209460
MDL number:
MFCD00068996

Key Documents

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Product Name

Hexestrol, 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

assay

≥98%

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

application(s)

forensics and toxicology
pharmaceutical (small molecule)
veterinary

format

neat

Quality Level

100

Gene Information

human ... ESR1(2099)
rat ... Esr1(24890)

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Application

Hexestrol may be used as a reference standard for the determination of the analyte in biological samples using immunoaffinity extraction and gas chromatography-negative-ion chemical ionization mass spectrometry.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Biochem/physiol Actions

The carcinogen hexestrol is a nonsteroidal synthetic estrogen. Metabolic activation of hexestrol to its quinone, which reacts with DNA to form analogous depurinating adducts, may be a primary critical event leading to oncogenic mutations and cancer initiation.

General description

Hexestrol is a synthetic nonsteroidal estrogen, which can be used in human medicine as well as a growth promoter in cattle.

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.
Reduced analogue of diethylstilbestrol.

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
MKCM4126
MKCK7639
MKCK4408
MKCH4229
MKCC7215

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Analysis of diethylstilbestrol, dienestrol and hexestrol in biological samples by immunoaffinity extraction and gas chromatography-negative-ion chemical ionization mass spectrometry.
Bagnati R, et al.
Journal of Chromatography. B, Biomedical Sciences and Applications, 527, 267-278 (1990)
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
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Articles

DNA Damage and Repair

DNA damage and repair mechanism is vital for maintaining DNA integrity. Damage to cellular DNA is involved in mutagenesis, the development of cancer among others.

DNA损伤和修复

DNA损伤和修复机制对于维持DNA完整性至关重要。细胞DNA的损伤与突变、癌症发展等有关。

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