Metronidazole phosphate

Base Information

• Chemical Name: Metronidazole phosphate
• CAS No.: 73334-05-1
• Molecular Formula: C6H10 N3 O6 P
• Molecular Weight: 251.136
• UNII: L500PR95QA
• DSSTox Substance ID: DTXSID90223564
• Nikkaji Number: J11.239I
• Wikidata: Q27282717
• NCI Thesaurus Code: C90619
• ChEMBL ID: CHEMBL2106886
• Mol file: 73334-05-1.mol

Synonyms:2 Methyl 5 nitroimidazole 1 ethanol;2-Methyl-5-nitroimidazole-1-ethanol;Bayer 5360;Clont;Danizol;Flagyl;Gineflavir;Metric;Metrodzhil;MetroGel;Metrogyl;Metronidazole;Metronidazole Hydrochloride;Metronidazole Monohydrochloride;Metronidazole Phosphate;Metronidazole Phosphoester;Satric;Trichazol;Trichopol;Trivazol;Vagilen

Chemical Property of Metronidazole phosphate

Chemical Property:

• Vapor Pressure: 2.04E-13mmHg at 25°C
• Boiling Point: 560.9°C at 760 mmHg
• Flash Point: 293°C
• PSA: 83.87000
• Density: 1.79g/cm³
• LogP: 0.61520
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 251.03072204
• Heavy Atom Count: 16
• Complexity: 301

Purity/Quality:

99% ^*data from raw suppliers

Metronidazole Phosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(N1CCOP(=O)(O)O)[N+](=O)[O-]
• Uses: Antibacterial; antiprotozoal.

Technology Process of Metronidazole phosphate

There total 2 articles about Metronidazole phosphate 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: 82.0%

metronidazole (443-48-1) → metronidazole phosphate (73334-05-1)

Guidance literature:

With pyrophosphoryl chloride; In tetrahydrofuran; at -25 ℃; for 1h;

DOI:10.1002/jps.2600710409

Reference yield:

Phosphoric acid 2-cyano-ethyl ester 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester → metronidazole phosphate (73334-05-1)

Guidance literature:

With potassium hydroxide; at 45 ℃; for 45h; Yield given; pH 10-11;

DOI:10.1002/jps.2600710409

Reference yield:

metronidazole phosphate (73334-05-1) → metronidazole (443-48-1)

Guidance literature:

With human serum; In water; at 37 ℃; human serum hydrolysis of metronidazole phosphate; pH dependence of solubility of metronidazole and metronidazole phosphate;

DOI:10.1002/jps.2600710409

upstream raw materials:

metronidazole

Downstream raw materials:

metronidazole

Refernces