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Substance Name: 1,4-Cyclohexanebis(methylamine), N,N'-bis(3,4,5,6-tetrahydropyran-2-ylmethyl)-, dihydrochloride, (E)-
RN: 1241-26-5
InChIKey: PVIYWTLLWCNTQD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H38-N2-O2.2Cl-H

Molecular Weight

  • 411.454
 
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Names and Synonyms

Synonym

  • trans-N,N'-Bis((tetrahydro-2H-pyran-2-yl)methyl)-1,4-cyclohexane bis(methylamine)

Systematic Name

  • 1,4-Cyclohexanebis(methylamine), N,N'-bis(3,4,5,6-tetrahydropyran-2-ylmethyl)-, dihydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 1241-26-5

System Generated Number

  • 0001241265

Molecular Formulas

Molecular Formula

  • C20-H38-N2-O2.2Cl-H

Molecular Formula Fragments

  • C20-H38-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H38N2O2.2ClH/c1-3-11-23-19(5-1)15-21-13-17-7-9-18(10-8-17)14-22-16-20-6-2-4-12-24-20;;/h17-22H,1-16H2;2*1H

InChIKey

PVIYWTLLWCNTQD-UHFFFAOYSA-N

Smiles

O1[C@@H](CNCC2CCC(CC2)CNC[C@@H]2OCCCC2)CCCC1.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1202mg/kg (1202mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.