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Substance Name: 1H-1,4-Diazepine, hexahydro-1-(2-((p-fluoro-alpha-phenylbenzyl)oxy)ethyl)-4-methyl-
RN: 75842-90-9
InChIKey: QKSYLNJEVWJBBN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-F-N2-O

Molecular Weight

  • 342.455
 
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Names and Synonyms

Synonym

  • 1-(2-((p-Fluoro-alpha-phenylbenzyl)oxy)ethyl)-4-methylhexahydro-1H-1,4-diazepine

Systematic Name

  • 1H-1,4-Diazepine, hexahydro-1-(2-((p-fluoro-alpha-phenylbenzyl)oxy)ethyl)-4-methyl-

Registry Numbers

CAS Registry Number

  • 75842-90-9

System Generated Number

  • 0075842909

Structure Descriptors

InChI

1S/C21H27FN2O/c1-23-12-5-13-24(15-14-23)16-17-25-21(18-6-3-2-4-7-18)19-8-10-20(22)11-9-19/h2-4,6-11,21H,5,12-17H2,1H3

InChIKey

QKSYLNJEVWJBBN-UHFFFAOYSA-N

Smiles

c1([C@@H](c2ccccc2)OCC[N@@]2CC[N@@](C)CCC2)ccc(F)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 240mg/kg (240mg/kg)   Acta Poloniae Pharmaceutica. For English translation, see APPFAR. Vol. 37, Pg. 53, 1980.