62580-80-7

Basic information

• Product Name: 3-(2-methyl-5-nitroimidazole-1-yl)-1,2-propanediol
• Synonyms: 3-(2-methyl-5-nitroimidazole-1-yl)-1,2-propanediol;3-(2-Methyl-5-nitro-1H-imidazol-1-yl)-1,2-propanediol;DA-3838;Ro-11-2616;3-(2-Methyl-5-nitro-1H-iMidazol-1-yl)propane-1,2-diol;Ornidazole Impurity Ⅱ;3-Deschloro-3-hydroxy Ornidazole
• CAS NO: 62580-80-7
• Molecular Formula: C7H11N3O4
• Molecular Weight: 201.18
• Mol File: 62580-80-7.mol
• Article Data: 0

Chemical Properties

• Melting Point: 102.0-104.5 °C
• Boiling Point: 512.8°C at 760 mmHg
• Flash Point: 263.9°C
• Appearance: /
• Density: 1.53g/cm³
• Vapor Pressure: 2.44E-11mmHg at 25°C
• Refractive Index: 1.625
• Storage Temp.: 2-8°C
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 13.69±0.20(Predicted)
• CAS DataBase Reference: 3-(2-methyl-5-nitroimidazole-1-yl)-1,2-propanediol(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2-methyl-5-nitroimidazole-1-yl)-1,2-propanediol(62580-80-7)
• EPA Substance Registry System: 3-(2-methyl-5-nitroimidazole-1-yl)-1,2-propanediol(62580-80-7)

Safety Data

• Hazardous Substances Data: 62580-80-7(Hazardous Substances Data)

Usage

Description

3-(2-methyl-5-nitroimidazole-1-yl)-1,2-propanediol is an organic compound with the molecular formula C7H10N2O4. It is characterized by the presence of a 1,2-propanediol backbone with a 2-methyl-5-nitroimidazole group attached to the third carbon. 3-(2-methyl-5-nitroimidazole-1-yl)-1,2-propanediol is structurally related to imidazole anti-infective agents and is known for its potential applications in various industries.

Uses

Used in Pharmaceutical Industry:
3-(2-methyl-5-nitroimidazole-1-yl)-1,2-propanediol is used as an intermediate compound for the synthesis of anti-infective drugs. Its structural similarity to imidazole anti-infectives suggests that it may play a role in the development of new medications with improved efficacy and reduced side effects.
Used in Metabolite Research:
As a metabolite of Ornidazole (O688500), an anti-infective agent, 3-(2-methyl-5-nitroimidazole-1-yl)-1,2-propanediol is used in the study of drug metabolism and pharmacokinetics. Understanding the metabolic pathways and the role of metabolites in the body can help in optimizing drug dosages and minimizing adverse effects.
Used in Drug Delivery Systems:
Similar to gallotannin, 3-(2-methyl-5-nitroimidazole-1-yl)-1,2-propanediol could potentially be employed in the development of novel drug delivery systems. These systems could enhance the bioavailability, delivery, and therapeutic outcomes of related anti-infective agents, particularly when faced with drug resistance or challenging treatment regimens.

InChI:InChI=1/C7H11N3O4/c1-5-8-2-7(10(13)14)9(5)3-6(12)4-11/h2,6,11-12H,3-4H2,1H3