Metronidazole
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Category | Antibiotics |
Catalog number | BBF-04552 |
CAS | 443-48-1 |
Molecular Weight | 171.15 |
Molecular Formula | C6H9N3O3 |
Purity | >98% |
Ordering Information
Catalog Number | Size | Price | Stock | Quantity |
---|---|---|---|---|
BBF-04552 | 500 g | $439 | In stock |
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Add to cartDescription
Metronidazole is a synthetic antibacterial and antiprotozoal agent of the nitroimidazole class. It is a limited spectrum antibiotic that has activity against anaerobic gram-positive and anaerobic gram-negative bacteria. It is also promisingly to be a radiation sensitizer for hypoxic cells.
Specification
Related CAS | 69198-10-3 (mono-hydrochloride) |
Synonyms | Flagyl; Metronidazol; 2-Methyl-5-nitroimidazole-1-Ethanol; Novonidazol; 2-Methyl-5-nitro-1H-imidazole-1-Ethanol; Anagiardil; Arilin; Bayer 5360; Cimetrol 500LPCI; Clont; Deflamon; Dentamet gel; Efloran; Elyzol; Flagesol; Flagil; 1-(2-Hydroxyethyl)-2-methyl-5-nitroimidazole; NSC 50364; NSC 69587; Nidazole |
Storage | Store in a well - closed container, protected from light. |
IUPAC Name | 2-(2-methyl-5-nitroimidazol-1-yl)Ethanol |
Canonical SMILES | CC1=NC=C(N1CCO)[N+](=O)[O-] |
InChI | InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 |
InChI Key | VAOCPAMSLUNLGC-UHFFFAOYSA-N |
Source | Synthetic |
Properties
Appearance | White to pale yellow powder |
Antibiotic Activity Spectrum | Gram-positive bacteria; Gram-negative bacteria; Parasites |
Boiling Point | 405.4°C at 760 mmHg |
Melting Point | 156-158°C |
Density | 1.45 g/cm3 |
Solubility | Slightly soluble in DMSO, Methanol |
LogP | -0.02 |
Toxicity
Carcinogenicity | 2B, possibly carcinogenic to humans. |
Mechanism Of Toxicity | Metronidazole is a prodrug. Unionized metronidazole is selective for anaerobic bacteria due to their ability to intracellularly reduce metronidazole to its active form. This reduced metronidazole then covalently binds to DNA, disrupt its helical structure, inhibiting bacterial nucleic acid synthesis and resulting in bacterial cell death. |
Toxicity | LD50 = 500 mg/kg/day (orally in rat). |
Reference Reading
Spectrum
Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive
Experimental Conditions
Ionization Energy: 70 eV
Chromatography Type: Gas Chromatography Column (GC)
Instrument Type: Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution: 0.0001 Da
Molecular Formula: C6H9N3O3
Molecular Weight (Monoisotopic Mass): 171.0644 Da
Molecular Weight (Avergae Mass): 171.154 Da
LC-MS/MS Spectrum - LC-ESI-QTOF , positive
Experimental Conditions
Ionization Mode: positive
Predicted LC-MS/MS Spectrum - 10V, Positive
Experimental Conditions
Collision Energy: 10 eV
Instrument Type: QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution: 0.0001 Da
Molecular Formula: C6H9N3O3
Molecular Weight (Monoisotopic Mass): 171.0644 Da
Molecular Weight (Avergae Mass): 171.154 Da
Mass Spectrum (Electron Ionization)
1H NMR Spectrum
Experimental Conditions
Instrument Type: JEOL
Nucleus: 1H
Frequency: 400 MHz
Chemical Shift Reference: TMS
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2