Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H20O8P2.4Na |
| Molecular Weight | 518.2532 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].[Na+].CC[C@@H]([C@@H](CC)C1=CC=C(OP([O-])([O-])=O)C=C1)C2=CC=C(OP([O-])([O-])=O)C=C2
InChI
InChIKey=DNCWQZVLWAEATB-YHCLLLHXSA-J
InChI=1S/C18H24O8P2.4Na/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24;;;;/h5-12,17-18H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4/t17-,18+;;;;
DescriptionCurator's Comment: description was created based on several sources, including
https://www.drugs.com/international/hexestrol.html | https://www.ncbi.nlm.nih.gov/pubmed/27816005 | https://www.ncbi.nlm.nih.gov/pubmed/92377 | https://www.ncbi.nlm.nih.gov/pubmed/6099050 | https://www.ncbi.nlm.nih.gov/pubmed/27816005
Curator's Comment: description was created based on several sources, including
https://www.drugs.com/international/hexestrol.html | https://www.ncbi.nlm.nih.gov/pubmed/27816005 | https://www.ncbi.nlm.nih.gov/pubmed/92377 | https://www.ncbi.nlm.nih.gov/pubmed/6099050 | https://www.ncbi.nlm.nih.gov/pubmed/27816005
Hexestrol (INN) (brand name Synoestrol, Estrifar, Estronal, numerous others), also known as hexoestrol, and dihydro-diethylstilbestrol, is a synthetic, non-steroidal estrogen of the stilbestrol group related to diethylstilbestrol that was used to treat estrogen deficiency but is now no longer employed medically. Hexestrol has also been available and used in ester form, including as hexestrol diacetate, hexestrol dicaprylate, hexestrol diphosphate, and hexestrol dipropionate.
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Relationship of human liver dihydrodiol dehydrogenases to hepatic bile-acid-binding protein and an oxidoreductase of human colon cells. | 1996 Jan 15 |
|
| Peritoneal lesions in guinea pigs treated with hormones. | 2002 Oct |
|
| Cellular and molecular regulation of the primate endometrium: a perspective. | 2006 |
|
| Molecular cloning of a novel type of rat cytoplasmic 17beta-hydroxysteroid dehydrogenase distinct from the type 5 isozyme. | 2006 Jun |
|
| Enzymatic properties of a member (AKR1C20) of the aldo-keto reductase family. | 2006 Mar |
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| Catechol quinones of estrogens in the initiation of breast, prostate, and other human cancers: keynote lecture. | 2006 Nov |
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| The use of liquid membranes in the multi-residue extraction of stilbenes in a variety of biological matrices and their detection with LC-ES-MS. | 2006 Nov-Dec |
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| [Determination of residues of three stilbene drugs in animal tissues using gas chromatography-mass spectrometry]. | 2006 Sep |
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| Activity of xenoestrogens at nanomolar concentrations in the E-Screen assay. | 2007 Dec |
|
| Comparison of time-resolved fluoroimmunoassay for determining hexoestrol residues in chicken muscle tissues based on polyclonal antibodies with liquid chromatography and tandem mass spectrometry. | 2007 Mar-Apr |
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| Determination of synthetic hormones in animal urine by high-performance liquid chromatography/mass spectrometry. | 2007 Mar-Apr |
|
| Studies on thermal reactivity of beta-(1,2-allenyl)butenolides and 2-allyl-3-allenylcyclohex-2-enones. | 2008 |
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| Dipotassium 4,4'-(hexane-3,4-di-yl)bis-(benzene-sulfonate) dihydrate. | 2008 Jul 16 |
|
| Development and in-house validation of an LC-MS/MS method for the determination of stilbenes and resorcylic acid lactones in bovine urine. | 2008 Jun |
|
| Determination of estrogens in wastewater using three-phase hollow fiber-mediated liquid-phase microextraction followed by HPLC. | 2008 Mar |
|
| Rational quantitative structure-activity relationship (RQSAR) screen for PXR and CAR isoform-specific nuclear receptor ligands. | 2010 Dec 5 |
|
| Robust array-based coregulator binding assay predicting ERα-agonist potency and generating binding profiles reflecting ligand structure. | 2013 Mar 18 |
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171399-06-7
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NON-SPECIFIC STOICHIOMETRY | |||
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DBSALT001081
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VK60X9E36E
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71587571
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CHEMBL9225
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DTXSID50169075
Created by
admin on Sat Dec 16 06:57:24 GMT 2023 , Edited by admin on Sat Dec 16 06:57:24 GMT 2023
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PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
