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Substance Name: 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-, dihydrochloride
RN: 81078-50-4
InChIKey: ICNPPFQYUGOKOJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H14-Cl-F-N2.2Cl-H

Molecular Weight

  • 397.7064
 
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Names and Synonyms

Synonyms

  • 3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride
  • 8-Chlor-5-(1-amino-2-propin-3-yl)-1-(2-fluorophenyl)-3H-benzazepin dihydrochlorid
  • 8-Chlor-5-(1-amino-2-propin-3-yl)-1-(2-fluorophenyl)-3H-benzazepin dihydrochlorid [German]

Systematic Name

  • 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 81078-50-4

System Generated Number

  • 0081078504

Molecular Formulas

Molecular Formula

  • C19-H14-Cl-F-N2.2Cl-H

Molecular Formula Fragments

  • C19-H14-Cl-F-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H14ClFN2.2ClH/c20-14-7-8-15-13(4-3-10-22)9-11-23-19(17(15)12-14)16-5-1-2-6-18(16)21;;/h1-2,5-9,12H,10-11,22H2;2*1H

InChIKey

ICNPPFQYUGOKOJ-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C2=NCC=C(c3c2cc(cc3)Cl)C#CCN)F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   European Patent Application. Vol. #0041627,