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Ethyl glucuronide

CAT: 0013-GTR19205904-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205904-01Size:1 mg
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Description
Ethyl glucuronide (EtG) is a direct, non-oxidative metabolite of ethanol used as a sensitive biomarker for detecting alcohol consumption. It is widely applied in forensic, clinical, and biomedical research for in vivo monitoring and in vitro assay development related to alcohol use disorders.
CAS Number
17685-04-0
Product Name Alternative
Ethyl-β-D-glucuronide, Ethyl glucuronide, Human Endogenous Metabolite
Field of Research
Immunology & Inflammation, Metabolism Research
Purity
99.56% (May vary between batches)
Solubility
H2O:100 mg/mL (450.07 mM)
Smiles
C (O) (=O) [C@@H]1[C@@H] (O) [C@H] (O) [C@@H] (O) [C@H] (OCC) O1
Molecular Formula
C8H14O7
Molecular Weight
222.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ethyl beta-D-glucuronide

Ethyl glucuronide is a beta-D-glucosiduronic acid that is the ethyl derivative of beta-D-glucuronic acid. It has a role as a human urinary metabolite.

CAS Number17685-04-0
PubChem CID18392195
IUPAC Name(2S,3S,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC8H14O7
Molecular Weight222.19
XLogP-1.4
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity231
SMILES
CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
InChI
InChI=1S/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+/m0/s1
InChIKey
IWJBVMJWSPZNJH-UQGZVRACSA-N
Chemical Structure
2D Structure
2D structure of Ethyl beta-D-glucuronide
CAS: 17685-04-0
CID: 18392195
Formula: C8H14O7
MW: 222.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.19
XLogP3-1.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass222.07395278
Monoisotopic Mass222.07395278
Topological Polar Surface Area116 Ų
Heavy Atom Count15
Formal Charge0
Complexity231
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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