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Substance Name: 1,4-Cyclohexenebis(methylamine), N,N'-bis(cyclohexylmethyl)-, diacetate
RN: 2077-75-0
InChIKey: XAZLLTCLHJFEHD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H40-N2.2C2-H4-O2

Molecular Weight

  • 452.675
 
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Names and Synonyms

Synonyms

  • Cyclohexanemethylamine, N,N'-(1,4-cyclohexenylene)bis-, diacetate
  • N,N'-(1,4-Cyclohexenylene)bis(cyclohexanemethylamine) diacetate
  • N,N'-Bis(cyclohexylmethyl)-1,4-cyclohexenebis(methylamine) diacetate

Systematic Name

  • 1,4-Cyclohexenebis(methylamine), N,N'-bis(cyclohexylmethyl)-, diacetate

Registry Numbers

CAS Registry Number

  • 2077-75-0

System Generated Number

  • 0002077750

Molecular Formulas

Molecular Formula

  • C22-H40-N2.2C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C22-H40-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H40N2.2C2H4O2/c1-3-7-19(8-4-1)15-23-17-21-11-13-22(14-12-21)18-24-16-20-9-5-2-6-10-20;2*1-2(3)4/h11,19-20,22-24H,1-10,12-18H2;2*1H3,(H,3,4)

InChIKey

XAZLLTCLHJFEHD-UHFFFAOYSA-N

Smiles

C1(=CC[C@@H](CC1)CNCC1CCCCC1)CNCC1CCCCC1.C(C)(O)=O.C(C)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 550mg/kg (550mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.