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Substance Name: Acetamide, N-(4-(((4,5-dihydro-1H-imidazol-2-yl)thio)acetyl)-2-nitrophenyl)-, monohydrochloride
RN: 160518-40-1
InChIKey: NXZYEKIURKHDOU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-N4-O4-S.Cl-H

Molecular Weight

  • 358.8045
 
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Names and Synonyms

Synonym

  • Acetanilide, 4'-((2-imidazolin-2-ylthio)acetyl)-2'-nitro-, monohydrochloride

Systematic Name

  • Acetamide, N-(4-(((4,5-dihydro-1H-imidazol-2-yl)thio)acetyl)-2-nitrophenyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 160518-40-1

System Generated Number

  • 0160518401

Molecular Formulas

Molecular Formula

  • C13-H14-N4-O4-S.Cl-H

Molecular Formula Fragments

  • C13-H14-N4-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H14N4O4S.ClH/c1-8(18)16-10-3-2-9(6-11(10)17(20)21)12(19)7-22-13-14-4-5-15-13;/h2-3,6H,4-5,7H2,1H3,(H,14,15)(H,16,18);1H

InChIKey

NXZYEKIURKHDOU-UHFFFAOYSA-N

Smiles

CC(=O)Nc1ccc(cc1[N+](=O)[O-])C(=O)CSC2=NCCN2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 334mg/kg (334mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 455, 1994.