Metronidazole

Molecular Structure:

Molecular Formula: C₆H₉N₃O₃
Molecular Weight: 171.15
IUPAC Name: 2-(2-Methyl-5-nitroimidazol-1-yl)ethanol
Synonyms of Metronidazole (CAS NO.443-48-1): 1-(2-Hydroxy-1-ethyl)-2-methyl-5-nitroimidazole ; 1-(beta-Ethylol)-2-methyl-5-nitro-3-azapyrrole ; 1-(beta-Hydroxyethyl)-2-methyl-5-nitroimidazole ; 2-Methyl-1-(2-hydroxyethyl)-5-nitroimidazole ; 2-Methyl-5-nitroimidazole-1-ethanol ; Acromona ; Anagiardil  ; Vagilen
CAS NO: 443-48-1
EINECS: 207-136-1
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 72.87 Å²
Index of Refraction: 1.612
Molar Refractivity: 40.98 cm³
Molar Volume: 117.8 cm³
Surface Tension: 60.4 dyne/cm
Density: 1.45 g/cm³
Flash Point: 199 °C
Enthalpy of Vaporization: 69.28 kJ/mol
Boiling Point: 405.4 °C at 760 mmHg
Vapour Pressure: 2.67E-07 mmHg at 25°C
Melting point: 159-163°C
Water solubility: <0.1 g/100 mL at 20 °C
Storage temp: 2-8°C
Solubility acetic acid: 0.1 M, clear, faintly yellow
Stability: Stable. Incompatible with strong oxidizing agents.
Appearance: white to slightly yellow crystalline powder
Product Categories: Active Pharmaceutical Ingredients;API's;Peptide Synthesis/Antibiotics

  Metronidazole (CAS NO.443-48-1) is used in the treatment of amoeba disease, trichomonad disease, and anaerobic bacteria infections.

NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2B IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 250.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 13 ,1977,p. 113.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program.

Hazard Codes  of Metronidazole (CAS NO.443-48-1): XnT
Risk Statements: 40-46-45
R40: Limited evidence of a carcinogenic effect. 
R45: May cause cancer. 
R46: May cause heritable genetic damage.
Safety Statements: 36/37-45-53
S36/37: Wear suitable protective clothing and gloves. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S53: Avoid exposure - obtain special instructions before use.
WGK Germany: 3
RTECS: NI5600000
F: 8
Confirmed carcinogen with experimental carcinogenic, neoplastigenic, tumorigenic, and teratogenic data. Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. Human systemic effects by ingestion: paresthesia, nerve or sheath structural changes, eye changes, tremors, fever, jaundice and other liver changes, hearing-acuity changes, somnolence, and ataxia. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.

  Metronidazole (CAS NO.443-48-1) is a prodrug. It is converted in anaerobic organisms by the redox enzyme pyruvate-ferredoxin oxidoreductase. The nitro group of metronidazole is chemically reduced by ferredoxin and the products are responsible for disrupting the DNA helical structure, thus inhibiting nucleic acid synthesis. Metronidazole is selectively taken up by anaerobic bacteria and sensitive protozoal organisms because of the ability of these organisms to reduce metronidazole to its active form intracellularly.

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Store  Metronidazole (CAS NO.443-48-1) in a cool, dry place. Store in a tightly closed container.