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Substance Name: 1,4-Cyclohexanebis(methylamine), N,N'-bis(2-nitrobenzyl)-, dihydrochloride
RN: 1254-73-5
InChIKey: IYGJUMCZMKTQPU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N4-O4.2Cl-H

Molecular Weight

  • 485.409
 
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Names and Synonyms

Synonyms

  • Benzylamine, N,N'-(1,4-cyclohexylenedimethylene)bis(2-nitro-, dihydrochloride
  • N,N'-(1,4-Cyclohexylenedimethylene)bis(2-nitrobenzylamine) dihydrochloride
  • N,N'-Bis(2-nitrobenzyl)-1,4-cyclohexanebis(methylamine) dihydrochloride

Systematic Name

  • 1,4-Cyclohexanebis(methylamine), N,N'-bis(2-nitrobenzyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 1254-73-5

System Generated Number

  • 0001254735

Molecular Formulas

Molecular Formula

  • C22-H28-N4-O4.2Cl-H

Molecular Formula Fragments

  • C22-H28-N4-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28N4O4.2ClH/c27-25(28)21-7-3-1-5-19(21)15-23-13-17-9-11-18(12-10-17)14-24-16-20-6-2-4-8-22(20)26(29)30;;/h1-8,17-18,23-24H,9-16H2;2*1H

InChIKey

IYGJUMCZMKTQPU-UHFFFAOYSA-N

Smiles

[N+](c1c(CNCC2CCC(CC2)CNCc2c([N+]([O-])=O)cccc2)cccc1)([O-])=O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 419mg/kg (419mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.