ChemicalBook--->CAS DataBase List--->17685-04-0

17685-04-0

17685-04-0 Structure

17685-04-0 Structure
IdentificationBack Directory
[Name]

ETHYL B-D-GLUCURONIDE
[CAS]

17685-04-0
[Synonyms]

ethyl glucuronide
Ethyl -D-glucuronide
ETHYL B-D-GLUCURONIDE
Ethyl--D-6-glucuronide
Ethyl beta-D-Glucuronide
Ethyl-β-D-glucopyranosiduronsaeure
b-D-Glucopyranosiduronic acid, ethyl-
6-Ethoxy-3,4,5-trihydroxy-tetrahydro-pyran-2-carboxylicAcid
[EINECS(EC#)]

200-659-6
[Molecular Formula]

C8H14O7
[MDL Number]

MFCD09037574
[MOL File]

17685-04-0.mol
[Molecular Weight]

222.193
Chemical PropertiesBack Directory
[Appearance]

Off-White Solid
[Melting point ]

160-161°C
[Boiling point ]

460.0±45.0 °C(Predicted)
[density ]

1.52±0.1 g/cm3(Predicted)
[Fp ]

9℃
[storage temp. ]

Hygroscopic, -20°C Freezer, Under Inert Atmosphere
[solubility ]

Methanol (Sparingly), Water (Slightly)
[form ]

Solid
[pka]

2.84±0.70(Predicted)
[color ]

White to Light Beige
[Stability:]

Very Hygroscopic
[InChI]

InChI=1/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/s3
[InChIKey]

IWJBVMJWSPZNJH-UJTYWHTDNA-N
[SMILES]

[C@@H]1(C(O)=O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](OCC)O1 |&1:0,4,6,8,10,r|
[CAS DataBase Reference]

17685-04-0
[EPA Substance Registry System]

.beta.-D-Glucopyranosiduronic acid, ethyl (17685-04-0)
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Definition]

ChEBI: A beta-D-glucosiduronic acid that is the ethyl derivative of beta-D-glucuronic acid.
[Uses]

Ethyl β-D-Glucuronide is a useful diagnostic marker for alcohol consumption, and acts as a marker to assess acute or chronic excessive alcohol consumption.
[General Description]

Ethyl ?-D-glucuronide is a primary urinary metabolite of alcohol and can be used as a biomarker for the monitoring of alchohol consumption. This Snap-N-Spike? Reference Solution is applicable for use in LC/MS or GC/MS applications for clinical toxicology, forensic analysis, or urine drug testing.
[IC 50]

Human Endogenous Metabolite
[storage]

Store at -20°C, protect from light
Safety DataBack Directory
[Hazard Codes ]

F,T
[Risk Statements ]

11-23/24/25-39/23/24/25
[Safety Statements ]

7-16-36/37-45
[RIDADR ]

UN1230 - class 3 - PG 2 - Methanol, solution
[WGK Germany ]

1
[HS Code ]

38220090
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL B-D-GLUCURONIDE(17685-04-0)1HNMR
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