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Substance Name: Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride
RN: 130623-24-4
InChIKey: IOFAVGYNRUISOZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H12-N4-O3-S.Cl-H

Molecular Weight

  • 316.7677
 
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Names and Synonyms

Synonyms

  • 1-(4-Amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)ethanone monohydrochloride
  • Acetophenone, 4'-amino-2-(2-imidazolin-2-ylthio) 3'-nitro-, monohydrochloride

Systematic Name

  • Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 130623-24-4

System Generated Number

  • 0130623244

Molecular Formulas

Molecular Formula

  • C11-H12-N4-O3-S.Cl-H

Molecular Formula Fragments

  • C11-H12-N4-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H12N4O3S.ClH/c12-8-2-1-7(5-9(8)15(17)18)10(16)6-19-11-13-3-4-14-11;/h1-2,5H,3-4,6,12H2,(H,13,14);1H

InChIKey

IOFAVGYNRUISOZ-UHFFFAOYSA-N

Smiles

c1cc(c(cc1C(=O)CSC2=NCCN2)[N+](=O)[O-])N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 220mg/kg (220mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 455, 1994.