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Substance Name: 2(3H)-Benzoxazolone, 6-chloro-3-(3-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-3-oxopropyl)-, monohydriodide
RN: 100037-07-8
InChIKey: BRPYBKGMBVXUQE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H17-Cl-N4-O3.H-I

Molecular Weight

  • 512.729
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100037-07-8

System Generated Number

  • 0100037078

Molecular Formulas

Molecular Formula

  • C19-H17-Cl-N4-O3.H-I

Molecular Formula Fragments

  • C19-H17-Cl-N4-O3
  • COMPONENT
  • H-I

Structure Descriptors

InChI

1S/C19H17ClN4O3.HI/c20-13-3-6-15-17(11-13)27-19(26)24(15)10-7-16(25)12-1-4-14(5-2-12)23-18-21-8-9-22-18;/h1-6,11H,7-10H2,(H2,21,22,23);1H

InChIKey

BRPYBKGMBVXUQE-UHFFFAOYSA-N

Smiles

c12c(oc(n1CCC(c1ccc(NC3=NCC[NH+]3)cc1)=O)=O)cc(Cl)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.