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Substance Name: 2(3H)-Benzoxazolone, 3-(3-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-3-oxopropyl)-6-methyl-, monohydriodide
RN: 100037-06-7
InChIKey: QOXXFQDCNVISMD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-N4-O3.H-I

Molecular Weight

  • 492.311
 
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Names and Synonyms

Synonyms

  • 2-Benzoxazolinone, 3-(2-(p-(2-imidazolin-2-ylamino)benzoyl)ethyl)-6-methyl-, monohydriodide
  • 3-(2-(p-(2-Imidazolin-2-ylamino)benzoyl)ethyl)-6-methyl-2-benzoxazolinone hydriodide

Systematic Name

  • 2(3H)-Benzoxazolone, 3-(3-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-3-oxopropyl)-6-methyl-, monohydriodide

Registry Numbers

CAS Registry Number

  • 100037-06-7

System Generated Number

  • 0100037067

Molecular Formulas

Molecular Formula

  • C20-H20-N4-O3.H-I

Molecular Formula Fragments

  • C20-H20-N4-O3
  • COMPONENT
  • H-I

Structure Descriptors

InChI

1S/C20H20N4O3.HI/c1-13-2-7-16-18(12-13)27-20(26)24(16)11-8-17(25)14-3-5-15(6-4-14)23-19-21-9-10-22-19;/h2-7,12H,8-11H2,1H3,(H2,21,22,23);1H

InChIKey

QOXXFQDCNVISMD-UHFFFAOYSA-N

Smiles

c12c(oc(n1CCC(c1ccc(NC3=NCC[NH+]3)cc1)=O)=O)cc(C)cc2.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Indian Drugs. Vol. 22, Pg. 587, 1985.