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Details

Stereochemistry ACHIRAL
Molecular Formula C2H5O4S.Na.H2O
Molecular Weight 166.129
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM ETHYL SULFATE MONOHYDRATE

SMILES

O.[Na+].CCOS([O-])(=O)=O

InChI

InChIKey=PYUOPTRTUJQSKV-UHFFFAOYSA-M
InChI=1S/C2H6O4S.Na.H2O/c1-2-6-7(3,4)5;;/h2H2,1H3,(H,3,4,5);;1H2/q;+1;/p-1

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
Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

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

Approval Year

2013
596
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Diagnostic
Phase I
428
Unknown

Approved Use

Unknown
Sourcing

Sourcing

Vendor/AggregatorIDURL
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

PubMed

TitleDatePubMed
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
Patents

Patents

20050282095
5
US20060084134 A1
3

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:56:00 GMT 2023
Edited
by admin
on Sat Dec 16 07:56:00 GMT 2023
Record UNII
6JO2426562
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM ETHYL SULFATE MONOHYDRATE
MI  
Systematic Name English
SULFURIC ACID, MONOETHYL ESTER, SODIUM SALT, HYDRATE (1:1:1)
Systematic Name English
SODIUM ETHYL SULFATE MONOHYDRATE [MI]
Common Name English
SODIUM SULFOVINATE MONOHYDRATE
Common Name English
Code System Code Type Description
FDA UNII
6JO2426562
Created by admin on Sat Dec 16 07:56:00 GMT 2023 , Edited by admin on Sat Dec 16 07:56:00 GMT 2023
PRIMARY
CAS
6106-02-1
Created by admin on Sat Dec 16 07:56:00 GMT 2023 , Edited by admin on Sat Dec 16 07:56:00 GMT 2023
PRIMARY
PUBCHEM
25022159
Created by admin on Sat Dec 16 07:56:00 GMT 2023 , Edited by admin on Sat Dec 16 07:56:00 GMT 2023
PRIMARY
MERCK INDEX
m10020
Created by admin on Sat Dec 16 07:56:00 GMT 2023 , Edited by admin on Sat Dec 16 07:56:00 GMT 2023
PRIMARY Merck Index
Related Record Type Details
Structure of SODIUM ETHYL SULFATE
ANHYDROUS->SOLVATE
Structure of SODIUM ETHYL SULFATE
PARENT -> SALT/SOLVATE
NIH
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