2-Methyl-5-nitroimidazole-1-ethanol (CAS 443-48-1) — formula C6H9N3O3, molecular weight 171.15; category organic chemicals.
| CAS Number | 443-48-1 |
|---|---|
| Molecular Formula | C6H9N3O3 |
| Molecular Weight | 171.15 |
| Melting Point | 316 to 320 °F (NTP, 1992) |
| Boiling Point | 405.4 |
| LogP | -0.02 |
| Applications | Uses: For Metronidazole (USEPA, OPP Pesticide Code: 120401) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., The active ingredient is no longer contained in any registered pesticide products ... "cancelled.", Mesh Heading: Anti-infective agents, antiprotozoal agents, radiation-sensitizing agents, Topical treatment of inflammatory lesions of rosacea, For more Uses (Complete) data for METRONIDAZOLE (8 total), please visit the HSDB record page., Use (kg) in Switzerland (2009): >1000, Use (kg, approx.) in Germany (2009): >10000, exact) in Germany (2009): 12354, Use (kg) in USA (2002): 30300, Use (kg) in France (2004): 36545, Consumption (g per capita) in Switzerland (2009): 0.13, Consumption (g per capita, approx.) in Germany (2009): 0.12, exact) in Germany (2009): 0.15, Consumption (g per capita) in the USA (2002): 0.11, Consumption (g per capita) in France (2004): 0.6, Excretion rate: 0.27, Calculated removal (%): 22, For the treatment of anaerobic infections and mixed infections, surgical prophylaxis requiring anaerobic coverage, Clostridium difficile-associated diarrhea and colitis, Helicobacter pylori infection and duodenal ulcer disease, bacterial vaginosis, Giardia lamblia gastro-enteritis, amebiasis caused by Entamoeba histolytica, acne rosacea (topical treatment), and Trichomonas infections., Use Classification: Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients, Veterinary Drug -> ANTIPROTOZOAL_AGENT -> JECFA Functional Classes, Pharmaceuticals -> Animal Drugs -> Approved in Taiwan, Household Products: Information on 2 consumer products that contain Metronidazole in the following categories is provided:, • Pet Care, Methods of Manufacturing: Jacob et al., US patent 2, 944, 061 (1960 to Rhone-Poulenc), Metronidizole is prepared by heating 2-methyl-5-nitroimidizole with excess 2-chloroethanol to obtain the crude product which is purified by extraction with chloroform and recrystallization from ethyl acetate., Formulations, Preparations: Metronidazole, USP (flagyl), is avail as 250-mg tablets. Uncoated vaginal inserts, each containing 500 mg, are also available., Capsule 375 mg, Gel, topical 0.75% [7.5 mg, mL] (30 g), vaginal 0.75% (5 g applicator delivering 37.5 mg in 70 g tube), Injection, ready to use 5 mg, mL (100 mL), Powder for injection, as hydrochloride 500 mg, Tablet 250mg, 500 mg, Capsules 375 mg, Tablets 250 mg, 500 mg Flagyl 375, Pfizer, Tablets, extended-release, film-coated 750 mg Flagyl ER, film-coated 250 mg, 500 mg Flagyl, Parenteral Injection, for IV infusion only 5 mg, mL Flagyl I.V. RTU (Viaflex [Baxter]), SCS Pharmaceuticals., General Manufacturing Information: Although metronidazole is closely related to natural antitrichomonal agent, Azomycin, it is not known to occur in nature., NMR spectroscopy & polarography were used to detect in vitro interactions between metronidazole & biologically important metals. Only cupric ion showed detectable interaction., Reasonably anticipated to be a human carcingen |
| Category | Organic Chemicals |
Documented applications: Uses: For Metronidazole (USEPA, OPP Pesticide Code: 120401) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., The active ingredient is no longer contained in any registered pesticide products ... "cancelled.", Mesh Heading: Anti-infective agents, antiprotozoal agents, radiation-sensitizing agents, Topical treatment of inflammatory lesions of rosacea, For more Uses (Complete) data for METRONIDAZOLE (8 total), please visit the HSDB record page., Use (kg) in Switzerland (2009): >1000, Use (kg, approx.) in Germany (2009): >10000, exact) in Germany (2009): 12354, Use (kg) in USA (2002): 30300, Use (kg) in France (2004): 36545, Consumption (g per capita) in Switzerland (2009): 0.13, Consumption (g per capita, approx.) in Germany (2009): 0.12, exact) in Germany (2009): 0.15, Consumption (g per capita) in the USA (2002): 0.11, Consumption (g per capita) in France (2004): 0.6, Excretion rate: 0.27, Calculated removal (%): 22, For the treatment of anaerobic infections and mixed infections, surgical prophylaxis requiring anaerobic coverage, Clostridium difficile-associated diarrhea and colitis, Helicobacter pylori infection and duodenal ulcer disease, bacterial vaginosis, Giardia lamblia gastro-enteritis, amebiasis caused by Entamoeba histolytica, acne rosacea (topical treatment), and Trichomonas infections., Use Classification: Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients, Veterinary Drug -> ANTIPROTOZOAL_AGENT -> JECFA Functional Classes, Pharmaceuticals -> Animal Drugs -> Approved in Taiwan, Household Products: Information on 2 consumer products that contain Metronidazole in the following categories is provided:, • Pet Care, Methods of Manufacturing: Jacob et al., US patent 2, 944, 061 (1960 to Rhone-Poulenc), Metronidizole is prepared by heating 2-methyl-5-nitroimidizole with excess 2-chloroethanol to obtain the crude product which is purified by extraction with chloroform and recrystallization from ethyl acetate., Formulations, Preparations: Metronidazole, USP (flagyl), is avail as 250-mg tablets. Uncoated vaginal inserts, each containing 500 mg, are also available., Capsule 375 mg, Gel, topical 0.75% [7.5 mg, mL] (30 g), vaginal 0.75% (5 g applicator delivering 37.5 mg in 70 g tube), Injection, ready to use 5 mg, mL (100 mL), Powder for injection, as hydrochloride 500 mg, Tablet 250mg, 500 mg, Capsules 375 mg, Tablets 250 mg, 500 mg Flagyl 375, Pfizer, Tablets, extended-release, film-coated 750 mg Flagyl ER, film-coated 250 mg, 500 mg Flagyl, Parenteral Injection, for IV infusion only 5 mg, mL Flagyl I.V. RTU (Viaflex [Baxter]), SCS Pharmaceuticals., General Manufacturing Information: Although metronidazole is closely related to natural antitrichomonal agent, Azomycin, it is not known to occur in nature., NMR spectroscopy & polarography were used to detect in vitro interactions between metronidazole & biologically important metals. Only cupric ion showed detectable interaction., Reasonably anticipated to be a human carcingen.
2-Methyl-5-nitroimidazole-1-ethanol is a carbon-based organic compound with CAS registry number 443-48-1 and molecular formula C6H9N3O3 (molecular weight 171.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 443-48-1
Its molecular formula C6H9N3O3 comprises 6 C, 9 H, 3 N, 3 O atoms.
Also known as: 2-Methyl-5-nitroimidazole-1-ethanol · Metronidazole
Category: organic chemicals
The CAS registry number of 2-Methyl-5-nitroimidazole-1-ethanol is 443-48-1.
Molecular formula C6H9N3O3, molecular weight 171.15.
It is also registered under: 2-Methyl-5-nitroimidazole-1-ethanol, Metronidazole.
Recorded applications: Uses: For Metronidazole (USEPA, OPP Pesticide Code: 120401) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., The active ingredient is no longer contained in any registered pesticide products ... "cancelled.", Mesh Heading: Anti-infective agents, antiprotozoal agents, radiation-sensitizing agents, Topical treatment of inflammatory lesions of rosacea, For more Uses (Complete) data for METRONIDAZOLE (8 total), please visit the HSDB record page., Use (kg) in Switzerland (2009): >1000, Use (kg, approx.) in Germany (2009): >10000, exact) in Germany (2009): 12354, Use (kg) in USA (2002): 30300, Use (kg) in France (2004): 36545, Consumption (g per capita) in Switzerland (2009): 0.13, Consumption (g per capita, approx.) in Germany (2009): 0.12, exact) in Germany (2009): 0.15, Consumption (g per capita) in the USA (2002): 0.11, Consumption (g per capita) in France (2004): 0.6, Excretion rate: 0.27, Calculated removal (%): 22, For the treatment of anaerobic infections and mixed infections, surgical prophylaxis requiring anaerobic coverage, Clostridium difficile-associated diarrhea and colitis, Helicobacter pylori infection and duodenal ulcer disease, bacterial vaginosis, Giardia lamblia gastro-enteritis, amebiasis caused by Entamoeba histolytica, acne rosacea (topical treatment), and Trichomonas infections., Use Classification: Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients, Veterinary Drug -> ANTIPROTOZOAL_AGENT -> JECFA Functional Classes, Pharmaceuticals -> Animal Drugs -> Approved in Taiwan, Household Products: Information on 2 consumer products that contain Metronidazole in the following categories is provided:, • Pet Care, Methods of Manufacturing: Jacob et al., US patent 2, 944, 061 (1960 to Rhone-Poulenc), Metronidizole is prepared by heating 2-methyl-5-nitroimidizole with excess 2-chloroethanol to obtain the crude product which is purified by extraction with chloroform and recrystallization from ethyl acetate., Formulations, Preparations: Metronidazole, USP (flagyl), is avail as 250-mg tablets. Uncoated vaginal inserts, each containing 500 mg, are also available., Capsule 375 mg, Gel, topical 0.75% [7.5 mg, mL] (30 g), vaginal 0.75% (5 g applicator delivering 37.5 mg in 70 g tube), Injection, ready to use 5 mg, mL (100 mL), Powder for injection, as hydrochloride 500 mg, Tablet 250mg, 500 mg, Capsules 375 mg, Tablets 250 mg, 500 mg Flagyl 375, Pfizer, Tablets, extended-release, film-coated 750 mg Flagyl ER, film-coated 250 mg, 500 mg Flagyl, Parenteral Injection, for IV infusion only 5 mg, mL Flagyl I.V. RTU (Viaflex [Baxter]), SCS Pharmaceuticals., General Manufacturing Information: Although metronidazole is closely related to natural antitrichomonal agent, Azomycin, it is not known to occur in nature., NMR spectroscopy & polarography were used to detect in vitro interactions between metronidazole & biologically important metals. Only cupric ion showed detectable interaction., Reasonably anticipated to be a human carcingen.
Category: Organic Chemicals.
Independent reference data for 2-Methyl-5-nitroimidazole-1-ethanol (CAS 443-48-1), compiled from public chemistry databases.
| CAS Registry Number | 443-48-1 |
|---|---|
| PubChem CID | 4173 |
| Molecular formula | C6H9N3O3 |
| IUPAC name | 2-(2-methyl-5-nitroimidazol-1-yl)ethanol |
| UNII (FDA) | 140QMO216E |
| Molecular Weight | 171.15 |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 171.06439116 |
| Monoisotopic Mass | 171.06439116 |
| Topological Polar Surface Area | 83.9 |
| Heavy Atom Count | 12 |
| Boiling Point | 405.4 |
|---|---|
| Melting Point | 316 to 320 °F (NTP, 1992) |
| Melting Point | 160 |
| Melting Point | 158-160 °C |
| Melting Point | 160 °C |
| Solubility | In water, 11,000 mg/L at 25 °C |
| Solubility | 5.92e+00 g/L |
| LogP | -0.02 |
| LogP | log Kow = -0.02 |
| LogP | -0.1 |
metronidazole; 443-48-1; Metronidazol; Gineflavir; 2-Methyl-5-nitroimidazole-1-ethanol; Deflamon; Orvagil; Trichazol; MetroGel; Sanatrichom; Anagiardil; Danizol; Meronidal; Metronidaz; Mexibol; Trichocide
| Regulatory & Food Contact | ANTIPROTOZOAL_AGENT: Veterinary Drug FLAGYL ADI NOT EVALUATED Relevant toxicological data were unavailable for the Committee's evaluation. TRS 788-JECFA 34/27 |
|---|---|
| GHS notification summary | 1.1% (2 / 177) |
| GHS notification summary | 1.1% (2 / 177) |
|---|---|
| Reported hazard statements | H302 (15.3%), H312 (16.4%), H332 (16.9%), H341 (53.7%), H350 (49.7%), H351 (34.5%), H373 (29.4%), H412 (39.5%) |
This chemical does not meet GHS hazard criteria for 1.1% (2 of 177) of reports.
H302 (15.3%): Harmful if swallowed [Warning Acute toxicity, oral]
2-Methyl-5-nitroimidazole-1-ethanol · CAS 443-48-1 · C6H9N3O3. UNII 140QMO216E. Boiling Point: 405.4; Melting Point: 316 to 320 °F (NTP, 1992); Melting Point: 160.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.