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Substance Name: 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride
RN: 81138-83-2
InChIKey: CFFZIKMDXZDGJV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H18-Cl-F-N2.2Cl-H

Molecular Weight

  • 425.76
 
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Names and Synonyms

Synonym

  • 8-Chlor-5-(1-dimethylamino-2-propin-3-yl)-1-(2-fluorphenyl)-3H-2-benzazepin dihydrochlorid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 81138-83-2

System Generated Number

  • 0081138832

Molecular Formulas

Molecular Formula

  • C21-H18-Cl-F-N2.2Cl-H

Molecular Formula Fragments

  • C21-H18-Cl-F-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H18ClFN2.2ClH/c1-25(2)13-5-6-15-11-12-24-21(18-7-3-4-8-20(18)23)19-14-16(22)9-10-17(15)19;;/h3-4,7-11,14H,12-13H2,1-2H3;2*1H

InChIKey

CFFZIKMDXZDGJV-UHFFFAOYSA-N

Smiles

CN(C)CC#CC1=CCN=C(c2c1ccc(c2)Cl)c3ccccc3F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #0041627,