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.

  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.

Metronidazole is an antibiotic especially effective against anaerobic infections (infections that grow without the presence of oxygen.) With the CAS NO. 443-48-1, it also can be called Acromona; Anagiardil; Arilin; Atrivyl. It should be stored below 25ºC and protect from light. Metronidazole suppositories should be stored below 20ºC.A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS. It has also been proposed as a radiation sensitizer for hypoxic cells. According to the Fourth Annual Report on Carcinogens this substance may reasonably be anticipated to be a carcinogen.

Physical properties about Metronidazole are:
(1)ACD/LogP: -0.548; (2)ACD/LogD (pH 5.5): -0.55; (3)ACD/LogD (pH 7.4): -0.55; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 12.00 ; (7)ACD/KOC (pH 7.4): 12.00; (8)#H bond acceptors: 6 ; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.612 ; (12)Molar Refractivity: 40.981 cm³; (13)Molar Volume: 117.867 cm³; (14)Polarizability: 16.246 10-24cm³; (15)Surface Tension: 60.4799995422363 dyne/cm; (16)Density: 1.452 g/cm³; (17)Flash Point: 198.975 °C ; (18)Enthalpy of Vaporization: 69.277 kJ/mol; (19)Boiling Point: 405.394 °C at 760 mmHg

Uses of Metronidazole:
Metronidazole is used also as a gel preparation in the treatment of the dermatological conditions such as rosacea (Rozex and MetroGel by Galderma) and fungating tumours (Anabact, Cambridge Healthcare Supplies).

When you are using Metronidazole, please be cautious about it as the following:
1. Wear suitable protective clothing and gloves;
2. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
3. Avoid exposure - obtain special instruction before use;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3;
(2)InChIKey=VAOCPAMSLUNLGC-UHFFFAOYSA-N;
(3)SmilesCc1ncc(n1CCO)[N+](=O)[O-];

The toxiciy data of Metronidazole is as follows: