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Substance Name: Acetophenone, 3',4'-dichloro-2-(2-imidazolin-2-ylthio)-, monohydrobromide
RN: 33983-16-3
InChIKey: MMDGOHSHOHOPGN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H10-Cl2-N2-O-S.Br-H

Molecular Weight

  • 370.097
 
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Names and Synonyms

Synonyms

  • 2-(3,4-Dichlorophenacylthio)-2-imidazoline hydrobromide
  • 3',4'-Dichloro-2-(2-imidazolin-2-ylthio)acetophenone hydrobromide
  • DITA

Systematic Names

  • Acetophenone, 3',4'-dichloro-2-(2-imidazolin-2-ylthio)-, monohydrobromide
  • Ethanone, 1-(3,4-dichlorophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 33983-16-3

Related Registry Number

  • 36066-03-2 (Parent)

System Generated Number

  • 0033983163

Molecular Formulas

Molecular Formula

  • C11-H10-Cl2-N2-O-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C11-H10-Cl2-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C11H10Cl2N2OS.BrH/c12-8-2-1-7(5-9(8)13)10(16)6-17-11-14-3-4-15-11;/h1-2,5H,3-4,6H2,(H,14,15);1H

InChIKey

MMDGOHSHOHOPGN-UHFFFAOYSA-N

Smiles

c1(cc(c(Cl)cc1)Cl)C(CSC1=NCC[NH+]1)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 330mg/kg (330mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Toxicology and Applied Pharmacology. Vol. 41, Pg. 329, 1977.
mouse LD50 oral 560mg/kg (560mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Toxicology and Applied Pharmacology. Vol. 41, Pg. 329, 1977.