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Substance Name: Benzamide, 4-nitro-N-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-2,3,5,6-tetramethyl-, dihydrochloride
RN: 104373-53-7
InChIKey: KFZIXFYOLXRCFK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N5-O3.2Cl-H

Molecular Weight

  • 484.425
 
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Names and Synonyms

Synonym

  • 4-Nitro-N-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-2,3,5,6-tetramethylbenzamide 2HCl

Systematic Name

  • Benzamide, 4-nitro-N-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-2,3,5,6-tetramethyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 104373-53-7

System Generated Number

  • 0104373537

Molecular Formulas

Molecular Formula

  • C22-H29-N5-O3.2Cl-H

Molecular Formula Fragments

  • C22-H29-N5-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H29N5O3.2ClH/c1-15-17(3)21(27(29)30)18(4)16(2)20(15)22(28)24-9-10-25-11-13-26(14-12-25)19-7-5-6-8-23-19;;/h5-8H,9-14H2,1-4H3,(H,24,28);2*1H

InChIKey

KFZIXFYOLXRCFK-UHFFFAOYSA-N

Smiles

Cl.Cl.N1(CCN(CC1)CCNC(c1c(c(c([N+]([O-])=O)c(c1C)C)C)C)=O)c1ncccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 155mg/kg (155mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.