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Substance Name: Metronidazole acetate
RN: 13182-82-6
InChIKey: MQXDTGGRMOLAPU-UHFFFAOYSA-N

Molecular Formula

  • C8-H11-N3-O4

Molecular Weight

  • 213.192
 
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Names and Synonyms

Results Name

  • Metronidazole acetate

Synonyms

  • 2-Methyl-5-nitro-1H-imidazole-1-ethanol acetate (ester)
  • Metronidazole acetate

Systematic Name

  • 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, acetate (ester)

Registry Numbers

CAS Registry Number

  • 13182-82-6

System Generated Number

  • 0013182826

Structure Descriptors

InChI

1S/C8H11N3O4/c1-6-9-5-8(11(13)14)10(6)3-4-15-7(2)12/h5H,3-4H2,1-2H3

InChIKey

MQXDTGGRMOLAPU-UHFFFAOYSA-N

Smiles

[N+]([O-])(=O)c1cnc(C)n1CCOC(=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.3 (none)   EXP
Water Solubility 8440 mg/L 25 EST
Vapor Pressure 5.54E-06 mm Hg 25 EST
Henry's Law Constant 1.10E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.02E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.