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Substance Name: 2(3H)-Benzoxazolone, 3-(3-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-3-oxopropyl)-6-nitro-, monohydriodide
RN: 100037-08-9
InChIKey: WZYUIXDPKJTTMP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H17-N5-O5.H-I

Molecular Weight

  • 523.281
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100037-08-9

System Generated Number

  • 0100037089

Molecular Formulas

Molecular Formula

  • C19-H17-N5-O5.H-I

Molecular Formula Fragments

  • C19-H17-N5-O5
  • COMPONENT
  • H-I

Structure Descriptors

InChI

1S/C19H17N5O5.HI/c25-16(12-1-3-13(4-2-12)22-18-20-8-9-21-18)7-10-23-15-6-5-14(24(27)28)11-17(15)29-19(23)26;/h1-6,11H,7-10H2,(H2,20,21,22);1H

InChIKey

WZYUIXDPKJTTMP-UHFFFAOYSA-N

Smiles

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