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Substance Name: Cyclohexane, 1,4-bis(hexahydroazepinylmethyl)-, dihydrochloride, (E)-
RN: 1234-22-6
InChIKey: JUSNIEPCJNWQRR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H38-N2.2Cl-H

Molecular Weight

  • 379.456
 
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Names and Synonyms

Synonyms

  • (trans)-1,4-Bis(hexahydroazepinylmethyl)cyclohexane dihydrochloride
  • (trans)-N,N'-(1,4-Cyclohexylenedimethylene)bis(hexahydroazepine) dihydrochloride
  • Azepine, N,N'-(1,4-cyclohexylenedimethylene)bis(hexahydro-, dihydrochloride, (E)-

Systematic Name

  • Cyclohexane, 1,4-bis(hexahydroazepinylmethyl)-, dihydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 1234-22-6

System Generated Number

  • 0001234226

Molecular Formulas

Molecular Formula

  • C20-H38-N2.2Cl-H

Molecular Formula Fragments

  • C20-H38-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H38N2.2ClH/c1-2-6-14-21(13-5-1)17-19-9-11-20(12-10-19)18-22-15-7-3-4-8-16-22;;/h19-20H,1-18H2;2*1H

InChIKey

JUSNIEPCJNWQRR-UHFFFAOYSA-N

Smiles

N1(CC2CCC(CN3CCCCCC3)CC2)CCCCCC1.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 888mg/kg (888mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.