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Substance Name: 4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1)
RN: 56065-60-2
InChIKey: JAAKGKRWYAZMOT-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H27-N.C4-H4-O4

Molecular Weight

  • 301.4239
 
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Names and Synonyms

Synonyms

  • 2,6-Dimethyl-4-propyl-4-heptanamine (E)-2-butenedioate (1:1)
  • LCG 21600

Systematic Name

  • 4-Heptanamine, 2,6-dimethyl-4-propyl-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 56065-60-2

System Generated Number

  • 0056065602

Molecular Formulas

Molecular Formula

  • C12-H27-N.C4-H4-O4

Molecular Formula Fragments

  • C12-H27-N
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C12H27N.C4H4O4/c1-6-7-12(13,8-10(2)3)9-11(4)5;5-3(6)1-2-4(7)8/h10-11H,6-9,13H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

JAAKGKRWYAZMOT-WLHGVMLRSA-N

Smiles

CCCC(CC(C)C)(CC(C)C)N.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 250mg/kg (250mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 351, 1977.