Cas no 13182-82-6 (Metronidazole Acetate)

Metronidazole Acetate structure
Metronidazole Acetate structure
Product Name:Metronidazole Acetate
CAS No:13182-82-6
MF:C8H11N3O4
MW:213.190641641617
CID:219956
PubChem ID:83211
Update Time:2025-04-19

Metronidazole Acetate Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-1-ethanol,2-methyl-5-nitro-, 1-acetate
    • Metronidazole Acetate
    • 2-(2-methyl-5-nitroimidazol-1-yl)ethyl acetate
    • Metronidazole Acetat
    • 1-(2-acetoxyethyl)-2-methyl-5-nitroimidazole
    • 1-acetoxy-2-(2-methyl-5-nitro-imidazol-1-yl)-ethane
    • 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl acetate
    • 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl acetate
    • 2-methyl-5-nitro-1h-imidazole-1-ethanol acetate(ester)
    • AC1L34Y8
    • AC1Q209H
    • acetic acid 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
    • AR-1E3742
    • CHEMBL1080624
    • SureCN677158
    • O-Acetylmetronidazole; 2-Methyl-5-nitro-1H-imidazole-1-ethanol 1-Acetate; 2-Methyl-5-nitro-imidazole-1-ethanol Acetate
    • 1-(2-Acetoxy-ethyl)-2-methyl-5-nitroimidazole
    • 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, acetate (ester)
    • 13182-82-6
    • SCHEMBL677158
    • MQXDTGGRMOLAPU-UHFFFAOYSA-N
    • 2-Methyl-5-nitro-1H-imidazole-1-ethanol acetate (ester)
    • O-Acetylmetronidazole
    • DTXSID90157219
    • DTXCID0079710
    • Inchi: 1S/C8H11N3O4/c1-6-9-5-8(11(13)14)10(6)3-4-15-7(2)12/h5H,3-4H2,1-2H3
    • InChI Key: MQXDTGGRMOLAPU-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)CCN1C(=CN=C1C)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 213.075
  • Monoisotopic Mass: 213.075
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 253
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 89.9A^2

Experimental Properties

  • Density: 1.36
  • Boiling Point: 397.1°C at 760 mmHg
  • Flash Point: 194°C
  • Refractive Index: 1.573

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