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Substance Name: DITA
RN: 36066-03-2
InChIKey: SETGDZSQIAXGBV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H10-Cl2-N2-O-S

Molecular Weight

  • 289.185
 
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Names and Synonyms

Name of Substance

  • DITA

Synonyms

  • 1-(3,4-Dichlorophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)ethanone
  • 2-(3,4-Dichlorophenacylthio)-2-imidazoline
  • 5-23-10-00426 (Beilstein Handbook Reference)
  • BRN 0753683

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 36066-03-2

Related Registry Number

  • 33983-16-3 (mono-hydrobromide)

System Generated Number

  • 0036066032

Structure Descriptors

InChI

1S/C11H10Cl2N2OS/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)

InChIKey

SETGDZSQIAXGBV-UHFFFAOYSA-N

Smiles

C(CSC1=NCCN1)(c1cc(c(cc1)Cl)Cl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 450mg/kg (450mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 977, 1971.