Metronidazole monosuccinate

Base Information

• Chemical Name: Metronidazole monosuccinate
• CAS No.: 13182-87-1
• Molecular Formula: C10H13 N3 O6
• Molecular Weight: 271.23
• Hs Code.: 2933290090
• European Community (EC) Number: 236-130-1
• DSSTox Substance ID: DTXSID00157220
• Nikkaji Number: J213.727E
• Wikidata: Q83025371
• Mol file: 13182-87-1.mol

Synonyms:metronidazole monosuccinate;metronidazole monosuccinate, magnesium salt (1:2);metronidazole monosuccinate, sodium salt;MMS ester

Chemical Property of Metronidazole monosuccinate

Chemical Property:

• Vapor Pressure: 3.51E-13mmHg at 25°C
• Boiling Point: 555.6°C at 760 mmHg
• Flash Point: 289.8°C
• PSA: 127.24000
• Density: 1.47g/cm³
• LogP: 1.03090
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 271.08043514
• Heavy Atom Count: 19
• Complexity: 356

Purity/Quality:

98%min ^*data from raw suppliers

4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy]-4-oxobutanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(N1CCOC(=O)CCC(=O)O)[N+](=O)[O-]

Technology Process of Metronidazole monosuccinate

There total 5 articles about Metronidazole monosuccinate 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: 95.0%

succinic acid anhydride (108-30-5) + metronidazole (443-48-1) → 4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy]-4-oxobutanoic acid (13182-87-1)

Guidance literature:

With dmap; In acetonitrile; for 48h; Ambient temperature;

DOI:10.1002/bscb.19850940807

Reference yield:

succinic acid bis-[2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl] ester (13357-09-0) → succinic acid (110-15-6) + metronidazole (443-48-1) + 4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy]-4-oxobutanoic acid (13182-87-1)

Guidance literature:

With phosphate buffer pH 7.4; In methanol; water; at 37 ℃; Rate constant; var. pH, also in human plasma, Wistar rat liver homogenate;

DOI:10.1016/S0223-5234(98)80026-3

Reference yield:

1-(5-chloro-7-iodoquinolin-8-yl)-4-<2-(2-methyl-5-nitro-1H-imidazolyl)ethyl>butandioate (220819-20-5) → 5-chloro-7-iodoquinolin-8-ol (130-26-7,22112-03-4) + succinic acid (110-15-6) + metronidazole (443-48-1) + 4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy]-4-oxobutanoic acid (13182-87-1)

Guidance literature:

With phosphate buffer; potassium chloride; In methanol; at 37 ℃; Rate constant; var. pH; also with human plasma and rat liver homogenate;

upstream raw materials:

succinic acid anhydride

metronidazole

succinic acid bis-[2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl] ester

1-(5-chloro-7-iodoquinolin-8-yl)-4-<2-(2-methyl-5-nitro-1H-imidazolyl)ethyl>butandioate

Refernces

• 1、 Mura, Carla,Valenti, Donatella,Floris, Costantino,Sanna, Roberta,De Luca, Maria Antonietta,Fadda, Anna Maria,Loy, Giuseppe. "Metronidazole prodrugs: Synthesis, physicochemical properties, stability, and ex vivo release studies". . p. 4142 - 4150. Retrieved 2011.
• 2、 -. "Chicken IgY bifunctional antibody for treating Helicobacter pylori". Paragraph 0035-0037. . Retrieved 2020/06/20.