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Substance Name: Ethanone, 2-((4,5-dihydro-1H-imidazol-2-yl)thio)-1-(4-methoxy-3-nitrophenyl)-, monohydrochloride
RN: 130623-21-1
InChIKey: HHPJDZVLTSIIQE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-N3-O4-S.Cl-H

Molecular Weight

  • 331.7786
 
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Names and Synonyms

Synonym

  • Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 130623-21-1

System Generated Number

  • 0130623211

Molecular Formulas

Molecular Formula

  • C12-H13-N3-O4-S.Cl-H

Molecular Formula Fragments

  • C12-H13-N3-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H13N3O4S.ClH/c1-19-11-3-2-8(6-9(11)15(17)18)10(16)7-20-12-13-4-5-14-12;/h2-3,6H,4-5,7H2,1H3,(H,13,14);1H

InChIKey

HHPJDZVLTSIIQE-UHFFFAOYSA-N

Smiles

COc1ccc(cc1[N+](=O)[O-])C(=O)CSC2=NCCN2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 280mg/kg (280mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 455, 1994.