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Substance Name: Acetophenone, 2',4'-dichloro-2-(1-imidazolyl)-, nitrate
RN: 24155-29-1
InChIKey: QGJNVZSLBLMTIW-UHFFFAOYSA-O

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H8-Cl2-N2-O.H-N-O3

Molecular Weight

  • 318.115
 
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Names and Synonyms

Synonyms

  • EINECS 246-039-9
  • N-(2,4-Dichlorophenacyl)imidazole nitrate

Systematic Names

  • 1-(2-(2,4-Dichlorophenyl)-2-oxoethyl)-1H-imidazole mononitrate
  • Acetophenone, 2',4'-dichloro-2-(1-imidazolyl)-, nitrate

Registry Numbers

CAS Registry Number

  • 24155-29-1

System Generated Number

  • 0024155291

Molecular Formulas

Molecular Formula

  • C11-H8-Cl2-N2-O.H-N-O3

Molecular Formula Fragments

  • C11-H8-Cl2-N2-O
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C11H8Cl2N2O.NO3/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15;2-1(3)4/h1-5,7H,6H2;/q;-1/p+1

InChIKey

QGJNVZSLBLMTIW-UHFFFAOYSA-O

Smiles

c1(C(=O)C[N+]2C=CN=C2)c(cc(Cl)cc1)Cl.[N+](=O)([O-])[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 420mg/kg (420mg/kg)   Journal of Medicinal Chemistry. Vol. 24, Pg. 727, 1981.