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Substance Name: Benzamide, 4-amino-N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-2-chloro-, trihydrochloride
RN: 30194-71-9
InChIKey: ZKJJCBNOLRYVGC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Cl-N4-O3.3Cl-H

Molecular Weight

  • 526.289
 
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Names and Synonyms

Synonym

  • 4-Amino-N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-2-chlorobenzamide 3HCl

Systematic Name

  • Benzamide, 4-amino-N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-2-chloro-, trihydrochloride

Registry Numbers

CAS Registry Number

  • 30194-71-9

System Generated Number

  • 0030194719

Molecular Formulas

Molecular Formula

  • C21-H25-Cl-N4-O3.3Cl-H

Molecular Formula Fragments

  • C21-H25-Cl-N4-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25ClN4O3.3ClH/c22-18-12-16(23)2-3-17(18)21(27)24-5-6-25-7-9-26(10-8-25)13-15-1-4-19-20(11-15)29-14-28-19;;;/h1-4,11-12H,5-10,13-14,23H2,(H,24,27);3*1H

InChIKey

ZKJJCBNOLRYVGC-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)C[NH+]1CC[NH+](CC[NH+]C(c3c(cc(N)cc3)Cl)=O)CC1)OCO2.[ClH-].[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1964, 1974.