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Substance Name: Nitrone, N-(2-acetoxyethyl)-alpha-(1-methyl-2-nitroimidazol-5-yl)-
RN: 63958-44-1
InChIKey: XVMSCXOCZHMJPY-SDQBBNPISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-N4-O5

Molecular Weight

  • 256.2168
 
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Names and Synonyms

Synonyms

  • 5-24-02-00097 (Beilstein Handbook Reference)
  • BRN 0685871
  • N-(2-Acetoxyethyl)-alpha-(1-methyl-2-nitroimidazol-5-yl)nitrone

Systematic Names

  • Ethanol, 2-(((1-methyl-2-nitro-1H-imidazol-5-yl)methylene)amino)-, acetate (ester), N-oxide
  • Nitrone, N-(2-acetoxyethyl)-alpha-(1-methyl-2-nitroimidazol-5-yl)-

Registry Numbers

CAS Registry Number

  • 63958-44-1

System Generated Number

  • 0063958441

Structure Descriptors

InChI

1S/C9H12N4O5/c1-7(14)18-4-3-12(15)6-8-5-10-9(11(8)2)13(16)17/h5-6H,3-4H2,1-2H3/b12-6-

InChIKey

XVMSCXOCZHMJPY-SDQBBNPISA-N

Smiles

CC(=O)OCC\[N+](=C\c1cnc([N+](=O)[O-])n1C)\[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 700mg/kg (700mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 1391, 1977.