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Substance Name: Acetophenone, 2'-chloro-2-(1-imidazolyl)-, nitrate
RN: 24155-31-5
InChIKey: PTAOIBUKLJOTDE-UHFFFAOYSA-O

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H9-Cl-N2-O.H-N-O3

Molecular Weight

  • 283.67
 
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Names and Synonyms

Synonym

  • N-(2-Chlorophenacyl)imidazole nitrate

Systematic Name

  • Acetophenone, 2'-chloro-2-(1-imidazolyl)-, nitrate

Registry Numbers

CAS Registry Number

  • 24155-31-5

System Generated Number

  • 0024155315

Molecular Formulas

Molecular Formula

  • C11-H9-Cl-N2-O.H-N-O3

Molecular Formula Fragments

  • C11-H9-Cl-N2-O
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C11H9ClN2O.NO3/c12-10-4-2-1-3-9(10)11(15)7-14-6-5-13-8-14;2-1(3)4/h1-6,8H,7H2;/q;-1/p+1

InChIKey

PTAOIBUKLJOTDE-UHFFFAOYSA-O

Smiles

c1(C(=O)C[N+]2C=CN=C2)c(cccc1)Cl.[N+](=O)([O-])[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 360mg/kg (360mg/kg) BEHAVIORAL: ANTICONVULSANT Journal of Medicinal Chemistry. Vol. 24, Pg. 727, 1981.