CAS Number13182-89-3
Synonyms(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; caffeic acid 3-methyl ether; Benzoylmetronildazole; Coniferic acid; (E)-4-hydroxy-3-methoxy-Cinnamic acid; (E)-4-Hydroxy-3-methoxycinnamic acid; MFCD00239523; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Metronidazole Benzoate; (E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid; (2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; 2-Methyl-5-nitro-1H-imidazole-1-ethyl benzoate; Ferulic acid; 3-(4-Hydroxy-3-methoxyphenyl)propenoic acid; 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate; (2E)-3-(4-Hydroxy-3-methoxyphenyl)acrylic acid; EINECS 236-131-7; 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, benzoate (ester)
Molecular FormulaC13H13N3O4
Molecular Weight275.26
Purity98%
Density1.3±0.1 g/cm3
Boiling Point372.3±27.0 °C at 760 mmHg
Melting Point102 °C
AppearanceSolid;White to Light yellow powder to crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 13182-89-3 |
| Catalog No. | 2A-9011421 |
| Chinese Name | 苯酰甲硝唑 |
| Synonyms | (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; caffeic acid 3-methyl ether; Benzoylmetronildazole; Coniferic acid; (E)-4-hydroxy-3-methoxy-Cinnamic acid; (E)-4-Hydroxy-3-methoxycinnamic acid; MFCD00239523; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Metronidazole Benzoate; (E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid; (2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; 2-Methyl-5-nitro-1H-imidazole-1-ethyl benzoate; Ferulic acid; 3-(4-Hydroxy-3-methoxyphenyl)propenoic acid; 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate; (2E)-3-(4-Hydroxy-3-methoxyphenyl)acrylic acid; EINECS 236-131-7; 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, benzoate (ester) |
| Molecular Formula | C13H13N3O4 |
| Molecular Weight | 275.26 |
| Purity | 98 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 372.3±27.0 °C at 760 mmHg |
| Melting Point | 102 °C |
| Appearance | Solid;White to Light yellow powder to crystal |
| Storage Condition | 0-10°C; store in inert gas; avoid air, heat |
| Application | Metronidazole Benzoate is derived from metronidazole and benzoic acid and has antibacterial, antiparasitic, and antitrichomoniasis effects. |
| HTC | 2933990090 |
| MDL Number | MFCD00693654 |
| SMILES | [N+](=O)([O-])c1[n](c(nc1)C)CCOC(=O)c2ccccc2 |
| InChI | 1S/C13H13N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3 |
| InChI Key | CUUCCLJJOWSASK-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/11421_1_13182_89_3.pdf |
| Bioactivity | Metronidazole Benzoate, derives from a metronidazole and a benzoic acid, has a role as an antibacterial, antimicrobial, antiparasitic, and antitrichomonal agent[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial Target Antibacterial, antimicrobial, antiparasitic, antitrichomonal[1] In Vitro Metronidazole Benzoate is indicated for the treatment of infections caused by a wide range of anaerobic, protozoan and bacteroid bacteria, including trichomoniasis, amebiasis, vaginosis and gingivitis[1]. References [1]. Santiago de Oliveira Y, et al. The design of novel metronidazole benzoate structures: exploring stoichiometric diversity. Acta Crystallogr C Struct Chem. 2019 May 1;75(Pt 5):483-495. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 372.3±27.0 °C at 760 mmHg Melting Point 102 °C Molecular Formula C13H13N3O4 Molecular Weight 194.184 Flash Point 150.5±17.2 °C Exact Mass 194.057907 PSA 89.94000 LogP 1.64 Vapour Pressure 0.0±0.9 mmHg at 25°C Index of Refraction 1.627 InChIKey CUUCCLJJOWSASK-UHFFFAOYSA-N SMILES Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1 |
| Use of | Metronidazole Benzoate, derives from a metronidazole and a benzoic acid, has a role as an antibacterial, antimicrobial, antiparasitic, and antitrichomonal agent[1]. Properties Name metronidazole benzoate Synonym More Synonyms Metronidazole Benzoate Biological Activity Description Metronidazole Benzoate, derives from a metronidazole and a benzoic acid, has a role as an antibacterial, antimicrobial, antiparasitic, and antitrichomonal agent[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial Antibacterial, antimicrobial, antiparasitic, antitrichomonal[1] In Vitro Metronidazole Benzoate is indicated for the treatment of infections caused by a wide range of anaerobic, protozoan and bacteroid bacteria, including trichomoniasis, amebiasis, vaginosis and gingivitis[1]. References Chemical & Physical Properties Molecular Formula C13H13N3O4 Exact Mass 194.057907 PSA 89.94000 Index of Refraction 1.627 InChIKey CUUCCLJJOWSASK-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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