Metronidazole |A-D-Glucuronide

Base Information

• Chemical Name: Metronidazole |A-D-Glucuronide
• CAS No.: 100495-98-5
• Molecular Formula: C₁₂H₁₇N₃O₉
• Molecular Weight: 347.282
• DSSTox Substance ID: DTXSID80433579
• Wikidata: Q82247753
• Mol file: 100495-98-5.mol

Synonyms:Metronidazole |A-D-Glucuronide;Metronidazole beta-D-Glucuronide;100495-98-5;(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]oxane-2-carboxylic acid;DTXSID80433579;Metronidazole beta -D-Glucuronide;AKOS030240962;J-000148;2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl beta-D-Glucopyranosiduronic Acid

Chemical Property of Metronidazole |A-D-Glucuronide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 707.036°C at 760 mmHg
• Flash Point: 381.402°C
• PSA: 180.09000
• Density: 1.846g/cm³
• LogP: -1.46830
• Storage Temp.: ?20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 347.09647913
• Heavy Atom Count: 24
• Complexity: 473

Purity/Quality:

98%Min ^*data from raw suppliers

Metronidazoleβ-D-Glucuronide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(N1CCOC2C(C(C(C(O2)C(=O)O)O)O)O)[N+](=O)[O-]
• Isomeric SMILES: CC1=NC=C(N1CCO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O)[N+](=O)[O-]
• Uses: A metabolite of Metronidazole.

Technology Process of Metronidazole |A-D-Glucuronide

There total 1 articles about Metronidazole |A-D-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:

metronidazole (443-48-1) → 2-methyl-5-nitroimidazole-1-acetic acid (1010-93-1) + Metronidazole beta-D-glucuronide (100495-98-5) + Hydroxymetronidazole (4812-40-2)

Guidance literature:

rat liver slices; In water; at 37 ℃; Enzyme kinetics; Enzymatic reaction;

DOI:10.3109/00498259609046744

upstream raw materials:

metronidazole