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Substance Name: 1,4-Cyclohexanediamine, N,N'-bis(2-chlorobenzyl)-, diacetate, (E)-
RN: 2378-77-0
InChIKey: LWUYTXFIYUOZGE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-Cl2-N2.2C2-H4-O2

Molecular Weight

  • 483.433
 
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Names and Synonyms

Synonyms

  • (trans)-N,N'-Bis(2-chlorobenzyl)-1,4-cyclohexanediamine diacetate
  • Benzylamine, N,N'-(1,4-cyclohexylene)bis(2-chloro-, diacetate, (E)-
  • trans-N,N'-(1,4-Cyclohexylene)bis(2-chlorobenzylamine) diacetate

Systematic Name

  • 1,4-Cyclohexanediamine, N,N'-bis(2-chlorobenzyl)-, diacetate, (E)-

Registry Numbers

CAS Registry Number

  • 2378-77-0

System Generated Number

  • 0002378770

Molecular Formulas

Molecular Formula

  • C20-H24-Cl2-N2.2C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C20-H24-Cl2-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24Cl2N2.2C2H4O2/c21-19-7-3-1-5-15(19)13-23-17-9-11-18(12-10-17)24-14-16-6-2-4-8-20(16)22;2*1-2(3)4/h1-8,17-18,23-24H,9-14H2;2*1H3,(H,3,4)

InChIKey

LWUYTXFIYUOZGE-UHFFFAOYSA-N

Smiles

c1(CNC2CCC(NCc3c(Cl)cccc3)CC2)c(Cl)cccc1.CC(O)=O.CC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 450mg/kg (450mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.