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Substance Name: Hetolin hydrochloride
RN: 1949-07-1
UNII: 81262DMK68
InChIKey: WAHLMMKQTIGONH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H25-Cl3-N2-O.Cl-H

Molecular Weight

  • 524.316
 
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Names and Synonyms

Name of Substance

  • Hetolin hydrochloride

Synonyms

  • 1-(beta,beta,beta-Tris(p-chlorophenyl)propionyl)-4-methylpiperazine hydrochloride
  • 1-Methyl-4-(3,3,3-tris(p-chlorophenyl)propionyl)piperazine monohydrochloride
  • Dicroden
  • EINECS 217-758-5
  • UNII-81262DMK68

Systematic Names

  • 1-Methyl-4-(3,3,3-tris(4-chlorophenyl)propionyl)piperazinium chloride
  • Piperazine, 1-methyl-4-(3,3,3-tris(p-chlorophenyl)propionyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 1949-07-1

FDA UNII

  • 81262DMK68

System Generated Number

  • 0001949071

Molecular Formulas

Molecular Formula

  • C26-H25-Cl3-N2-O.Cl-H

Molecular Formula Fragments

  • C26-H25-Cl3-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H25Cl3N2O.ClH/c1-30-14-16-31(17-15-30)25(32)18-26(19-2-8-22(27)9-3-19,20-4-10-23(28)11-5-20)21-6-12-24(29)13-7-21;/h2-13H,14-18H2,1H3;1H

InChIKey

WAHLMMKQTIGONH-UHFFFAOYSA-N

Smiles

C(CC(N1CCN(CC1)C)=O)(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
domestic animals - goat/sheep LDLo oral 200mg/kg (200mg/kg)   Fortschritte der Arzneimittelforschung. Progress in Drug Research. Vol. 17, Pg. 108, 1973.
mouse LD50 oral 610mg/kg (610mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 739, 1989.