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Substance Name: Benzamidine, N-(p-(2-(diisopropylamino)ethoxy)phenyl)-N'-(p-fluorophenyl)-, dihydrobromide
RN: 80785-17-7
InChIKey: HFKDIJWXCBQSQP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H32-F-N3-O.2Br-H

Molecular Weight

  • 595.392
 
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Names and Synonyms

Synonym

  • N-(p-(2-(Diisopropylamino)ethoxy)phenyl)-N'-(p-fluorophenyl)benzamidine dihydrobromide

Systematic Name

  • Benzamidine, N-(p-(2-(diisopropylamino)ethoxy)phenyl)-N'-(p-fluorophenyl)-, dihydrobromide

Registry Numbers

CAS Registry Number

  • 80785-17-7

System Generated Number

  • 0080785177

Molecular Formulas

Molecular Formula

  • C27-H32-F-N3-O.2Br-H

Molecular Formula Fragments

  • Br-H
  • C27-H32-F-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C27H32FN3O.2BrH/c1-20(2)31(21(3)4)18-19-32-26-16-14-25(15-17-26)30-27(22-8-6-5-7-9-22)29-24-12-10-23(28)11-13-24;;/h5-17,20-21H,18-19H2,1-4H3,(H,29,30);2*1H

InChIKey

HFKDIJWXCBQSQP-UHFFFAOYSA-N

Smiles

C(\c1ccccc1)(Nc1ccc(OCC[NH+](C(C)C)C(C)C)cc1)=[N+]/c1ccc(F)cc1.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 143mg/kg (143mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.
mouse LD50 oral 630mg/kg (630mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.