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Substance Name: 1,4-Cyclohexanebis(methylamine), N,N'-bis(beta-methylphenethyl)-, dihydrochloride
RN: 1174-19-2
InChIKey: KSOHFVDMHBOJLF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H38-N2.2Cl-H

Molecular Weight

  • 451.522
 
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Names and Synonyms

Synonyms

  • N,N'-(1,4-Cyclohexylenedimethylene)bis(beta-methylphenethylamine) dihydrochloride
  • N,N'-Bis(beta-methylphenethyl)-1,4-cyclohexanebis(methylamine) dihydrochloride
  • Phenethylamine, N,N'-(1,4-cyclohexylenedimethylene)bis(beta-methyl-, dihydrochloride

Systematic Name

  • 1,4-Cyclohexanebis(methylamine), N,N'-bis(beta-methylphenethyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 1174-19-2

System Generated Number

  • 0001174192

Molecular Formulas

Molecular Formula

  • C26-H38-N2.2Cl-H

Molecular Formula Fragments

  • C26-H38-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H38N2.2ClH/c1-21(17-23-9-5-3-6-10-23)27-19-25-13-15-26(16-14-25)20-28-22(2)18-24-11-7-4-8-12-24;;/h3-12,21-22,25-28H,13-20H2,1-2H3;2*1H

InChIKey

KSOHFVDMHBOJLF-UHFFFAOYSA-N

Smiles

N(CC1CCC(CN[C@@H](Cc2ccccc2)C)CC1)[C@@H](Cc1ccccc1)C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 745mg/kg (745mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.