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Substance Name: 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1)
RN: 56065-61-3
InChIKey: BMFZTEUWABJSMJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H17-N.C2-H2-O4

Molecular Weight

  • 241.2851
 
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Names and Synonyms

Synonyms

  • 4-(2-Propenyl)-1,6-heptadien-4-amine ethanedioate (1:1)
  • LCG 21564

Systematic Name

  • 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 56065-61-3

System Generated Number

  • 0056065613

Molecular Formulas

Molecular Formula

  • C10-H17-N.C2-H2-O4

Molecular Formula Fragments

  • C10-H17-N
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C10H17N.C2H2O4/c1-4-7-10(11,8-5-2)9-6-3;3-1(4)2(5)6/h4-6H,1-3,7-9,11H2;(H,3,4)(H,5,6)

InChIKey

BMFZTEUWABJSMJ-UHFFFAOYSA-N

Smiles

C=CCC(CC=C)(CC=C)N.C(=O)(C(=O)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.