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Substance Name: 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride
RN: 2277-94-3
InChIKey: XRPBPWMZJXTYTJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-Cl2-N2.2Cl-H

Molecular Weight

  • 462.289
 
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Names and Synonyms

Synonyms

  • Benzylamine, N,N'-(1,4-bicyclo(2.2.2)octylene)bis(2-chloro-, dihydrochloride
  • N,N'-(1,4-Bicyclo(2.2.2)octylene)bis(2-chlorobenzylamine) dihydrochloride
  • N,N'-Bis(2-chlorobenzyl)-1,4-bicyclo(2.2.2)octanediamine dihydrochloride

Systematic Name

  • 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 2277-94-3

System Generated Number

  • 0002277943

Molecular Formulas

Molecular Formula

  • C22-H26-Cl2-N2.2Cl-H

Molecular Formula Fragments

  • C22-H26-Cl2-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26Cl2N2.2ClH/c23-19-7-3-1-5-17(19)15-25-21-9-12-22(13-10-21,14-11-21)26-16-18-6-2-4-8-20(18)24;;/h1-8,25-26H,9-16H2;2*1H

InChIKey

XRPBPWMZJXTYTJ-UHFFFAOYSA-N

Smiles

C12(CCC([NH2+]Cc3c(cccc3)Cl)(CC1)CC2)[NH2+]Cc1c(cccc1)Cl.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 698mg/kg (698mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.