ETHYL SULFATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C2H6O4S
Molecular Weight	126.132
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOS(O)(=O)=O

InChI

InChIKey=KIWBPDUYBMNFTB-UHFFFAOYSA-N

InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)

HIDE SMILES / InChI

Molecular Formula	C2H6O4S
Molecular Weight	126.132
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21616946

Ethyl sulfate is a metabolite of ethanol and a biomarker of recent alcohol consumption that provide objective measures of abstinence.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Alcohol abuse 8 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28852244	Diagnostic		Phase I 428	Unknown Approved Use Unknown

Sourcing

Vendor/Aggregator	ID	URL
1PlusChem LLC	1P003R08	https://www.1pchem.com/search?query=1P003R08
AK Scientific	5297AF	https://aksci.com/item_detail.php?cat=5297AF
AK Scientific	5298AF	https://aksci.com/item_detail.php?cat=5298AF
AK Scientific	6862AF	https://aksci.com/item_detail.php?cat=6862AF
AK Scientific	6863AF	https://aksci.com/item_detail.php?cat=6863AF
AKOS	AKOS028109629	http://akoscompounds.de/catalogue/AKosSamplesiSSretrieval.php?GUID=4e4caa52-3dca-4da0-b75a-caeae59e1096&IDNUMBERS=AKOS028109629
Alfa Chemistry	14448-64-7	http://www.alfa-chemistry.com/search.aspx?q=14448-64-7
Alfa Chemistry	546-75-8	http://www.alfa-chemistry.com/search.aspx?q=546-75-8
Alfa Chemistry	ACM3368341	http://www.alfa-chemistry.com/search.aspx?q=ACM3368341
Alfa Chemistry	ACM3368352	http://www.alfa-chemistry.com/search.aspx?q=ACM3368352
Alfa Chemistry	ACM563177	http://www.alfa-chemistry.com/search.aspx?q=ACM563177
Aronis	BBC/770	http://www.aronis.ru/store/index.php?main_page=advanced_search_result&search_in_description=1&keyword=BBC/770
AstaTech	44479	http://astatechinc.com/CPSResult.php?CRNO=44479
BOC Sciences	546-74-7	http://www.bocsci.com/description.asp?cas=546-74-7
BOC Sciences	6509-22-4	http://www.bocsci.com/description.asp?cas=6509-22-4
BOC Sciences	7268-96-4	http://www.bocsci.com/description.asp?cas=7268-96-4
Combi-Blocks	QE-6631	http://www.combi-blocks.com/cgi-bin/find.cgi?QE-6631
Enamine	BBV-46728705	http://www.enaminestore.com/catalog/BBV-46728705
KeyOrganics	AS-57365	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-57365
Lab Network	LN01306397	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01306397
Lab Network	LN01948361	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01948361
MolPort	MolPort-000-669-196	https://www.molport.com/shop/molecule-link/MolPort-000-669-196
MolPort	MolPort-006-111-748	https://www.molport.com/shop/molecule-link/MolPort-006-111-748
MolPort	MolPort-039-140-698	https://www.molport.com/shop/molecule-link/MolPort-039-140-698
MuseChem	M060006	https://www.musechem.com/product/M060006.html
MuseChem	M071686	https://www.musechem.com/product/M071686.html
MuseChem	M071766	https://www.musechem.com/product/M071766.html
MuseChem	M129687	https://www.musechem.com/product/M129687.html
MuseChem	R010654	https://www.musechem.com/product/R010654.html
Otava	7013980573	https://search.otavachemicals.com/#!/search?query=7013980573&type=code
Princeton BioMolecular Research	OSSM_140047	http://www.princetonbio.com/order_online?common_id=OSSM_140047
Sigma Aldrich	901275	http://www.sigmaaldrich.com/catalog/search?term=901275&interface=All&N=0&mode=match%20partialmax&lang=en®ion=US&focus=product
Sigma Aldrich	E-064	http://www.sigmaaldrich.com/catalog/search?term=E-064&interface=All&N=0&mode=match%20partialmax&lang=en®ion=US&focus=product
Tetrahedron	TS35303	http://www.thsci.com/search.do?q=TS35303
Tetrahedron	TS67423	http://www.thsci.com/search.do?q=TS67423
Tetrahedron	TS72904	http://www.thsci.com/search.do?q=TS72904
Toronto Research Chemicals	S625300	https://www.trc-canada.com/product-detail/?CatNum=S625300
Wonderchem	WD06BSR	http://www.wonder-chem.com/search.html?text=WD06BSR
eMolecules	110040730	https://orderbb.emolecules.com/search/#?query=110040730
eMolecules	1877021	https://orderbb.emolecules.com/search/#?query=1877021
eMolecules	25678308	https://orderbb.emolecules.com/search/#?query=25678308
eMolecules	56968019	https://orderbb.emolecules.com/search/#?query=56968019
eNovation Chemicals	D757517	https://www.enovationchem.com/Products.asp?SEARCHTEXT=D757517&searchbtn.x=0&searchbtn.y=0
mcule	MCULE-2028021547	https://mcule.com/MCULE-2028021547/

PubMed

Title	Date	PubMed
Urinary ethyl glucuronide and ethyl sulfate testing for recent drinking in alcohol-dependent outpatients treated with acamprosate or placebo.	2011 Sep-Oct	21616946
Ethyl glucuronide and ethyl sulfate assays in clinical trials, interpretation, and limitations: results of a dose ranging alcohol challenge study and 2 clinical trials.	2014 Jul	24773137
Value of Ethyl Glucuronide and Ethyl Sulfate in Serum as Biomarkers of Alcohol Consumption.	2017 Jul-Aug	28852244

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:41:26 UTC 2023` Edited by `admin` on `Fri Dec 15 18:41:26 UTC 2023`
Record UNII	P3LK0HF3B7
Record Status	`Validated (UNII)`
Record Version