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Substance Name: 1,5-Methano-1H-3-benzazepine, 2,3,4,5-tetrahydro-3-(2-propenyl)-, ethanedioate (1:1)
RN: 69718-87-2
InChIKey: KKHGLOPLDOJBGU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-N.C2-H2-O4

Molecular Weight

  • 289.3291
 
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Names and Synonyms

Synonyms

  • 2,3,4,5-Tetrahydro-3-(2-propenyl)-1,5-methano-1H-3-benzazepine ethanedioate
  • 3-Allyl-2,3,4,5-tetrahydro-1,5-methano-1H-3-benzazepine oxalate

Systematic Names

  • 1,5-Methano-1H-3-benzazepine, 2,3,4,5 tetrahydro-3-(2-propenyl)-, ethanedioate (1:1)
  • 1,5-Methano-1H-3-benzazepine, 2,3,4,5-tetrahydro-3-(2-propenyl)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 69718-87-2

System Generated Number

  • 0069718872

Molecular Formulas

Molecular Formula

  • C14-H17-N.C2-H2-O4

Molecular Formula Fragments

  • C14-H17-N
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C14H17N.C2H2O4/c1-2-7-15-9-11-8-12(10-15)14-6-4-3-5-13(11)14;3-1(4)2(5)6/h2-6,11-12H,1,7-10H2;(H,3,4)(H,5,6)

InChIKey

KKHGLOPLDOJBGU-UHFFFAOYSA-N

Smiles

C=CCN1CC2CC(C1)c3c2cccc3.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 47mg/kg (47mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 455, 1979.