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Substance Name: 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1)
RN: 64467-59-0
InChIKey: SHFZXQCWBGQLMS-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H23-N.C4-H4-O4

Molecular Weight

  • 285.381
 
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Names and Synonyms

Synonyms

  • LCG 21667
  • N-Methyl-4-propyl-1-hepten-4-amine (E)-2-butenedioate

Systematic Name

  • 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 64467-59-0

System Generated Number

  • 0064467590

Molecular Formulas

Molecular Formula

  • C11-H23-N.C4-H4-O4

Molecular Formula Fragments

  • C11-H23-N
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C11H23N.C4H4O4/c1-5-8-11(12-4,9-6-2)10-7-3;5-3(6)1-2-4(7)8/h5,12H,1,6-10H2,2-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

SHFZXQCWBGQLMS-BTJKTKAUSA-N

Smiles

C(CCC)(CC=C)([NH2+]C)CCC.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 170mg/kg (170mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 351, 1977.