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Substance Name: 1,3-Cyclohexanebis(methylamine), N,N'-bis(2-chlorobenzyl)-, dimaleate
RN: 2378-80-5
InChIKey: OLEYTRFQBFZKGQ-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-Cl2-N2.2C4-H4-O4

Molecular Weight

  • 623.526
 
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Names and Synonyms

Synonyms

  • 1,3-Cyclohexanedimethanamine, N,N'-bis((2-chlorophenyl)methyl)-, (Z)-2-butenedioate (1:2)
  • Benzylamine, N,N'-(1,3-cyclohexylene)bis(2-chloro-, dimaleate
  • N,N'-(1,3-Cyclohexylene)bis(2-chlorobenzylamine) dimaleate
  • N,N'-Bis(2-chlorobenzyl)-1,3-cyclohexanebis(methylamine) dimaleate

Systematic Name

  • 1,3-Cyclohexanebis(methylamine), N,N'-bis(2-chlorobenzyl)-, dimaleate

Registry Numbers

CAS Registry Number

  • 2378-80-5

Other Registry Number

  • 64011-77-4

System Generated Number

  • 0002378805

Molecular Formulas

Molecular Formula

  • C22-H28-Cl2-N2.2C4-H4-O4

Molecular Formula Fragments

  • C22-H28-Cl2-N2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28Cl2N2.2C4H4O4/c23-21-10-3-1-8-19(21)15-25-13-17-6-5-7-18(12-17)14-26-16-20-9-2-4-11-22(20)24;2*5-3(6)1-2-4(7)8/h1-4,8-11,17-18,25-26H,5-7,12-16H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

OLEYTRFQBFZKGQ-SPIKMXEPSA-N

Smiles

c1(c(Cl)cccc1)CNC[C@@H]1C[C@@H](CCC1)CNCc1c(Cl)cccc1.C(=C/C(=O)O)\C(O)=O.C(=C/C(=O)O)\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 549mg/kg (549mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.