Dopamine glucuronide

Base Information

• Chemical Name: Dopamine glucuronide
• CAS No.: 38632-24-5
• Molecular Formula: C14H19 N O8
• Molecular Weight: 329.3026
• DSSTox Substance ID: DTXSID70959475
• Nikkaji Number: J2.694.126A
• Wikidata: Q27160736
• Metabolomics Workbench ID: 40885
• Mol file: 38632-24-5.mol

Synonyms:dopamine glucuronide

Chemical Property of Dopamine glucuronide

Chemical Property:

• Vapor Pressure: 5.23E-18mmHg at 25°C
• Melting Point: >180°C (dec.)
• Boiling Point: 654.2°Cat760mmHg
• Flash Point: 349.5°C
• PSA: 193.93000
• Density: 1.605g/cm³
• LogP: -1.82980
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: Water (Slightly)
• XLogP3: -3.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 329.11106656
• Heavy Atom Count: 23
• Complexity: 408

Purity/Quality:

99% ^*data from raw suppliers

Dopamine4-β-D-Glucuronide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CCN)O)OC2C(C(C(C(O2)C(=O)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1CCN)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
• Uses: A metabolite of Dopamine. A metabolite of Dopamine

Technology Process of Dopamine glucuronide

There total 2 articles about Dopamine glucuronide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 20.0%

uridine-5'-diphosphoglucuronic acid trisodium salt + dopamine hydrochloride (62-31-7) → Dopamine O4-glucuronide (38632-24-5)

Guidance literature:

uridine-5'-diphosphoglucuronic acid trisodium salt; dopamine hydrochloride; With magnesium chloride hexahydrate; rat liver microsomes; D-Glucaro-1,4-lacton; In acetonitrile; at 37 ℃; for 5.5h; pH=7.4; aq. phosphate buffer; Enzymatic reaction;

With formic acid; In acetonitrile;

DOI:10.1021/ac801846w

Reference yield:

→ Dopamine O4-glucuronide (38632-24-5)

Guidance literature:

alkal. Verseifung des Tri-O-acetyl-methylesters 7;

upstream raw materials:

dopamine hydrochloride

Refernces