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Substance Name: Benzamidine, N-(p-(2-(benzylmethylamino)ethoxy)phenyl)-N'-phenyl-, dihydrobromide, hydrate
RN: 80785-02-0
InChIKey: DZRIPTSVTWDCCA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H29-N3-O.2Br-H.H2-O

Molecular Weight

  • 597.392
 
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Names and Synonyms

Synonym

  • N-(p-(2-(Benzylmethylamino)ethoxy)phenyl)-N'-phenyl-benzamidine dihydrobromide hydrate

Systematic Name

  • Benzamidine, N-(p-(2-(benzylmethylamino)ethoxy)phenyl)-N'-phenyl-, dihydrobromide, hydrate

Registry Numbers

CAS Registry Number

  • 80785-02-0

System Generated Number

  • 0080785020

Molecular Formulas

Molecular Formula

  • C29-H29-N3-O.2Br-H.H2-O

Molecular Formula Fragments

  • Br-H
  • C29-H29-N3-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C29H29N3O.2BrH/c1-32(23-24-11-5-2-6-12-24)21-22-33-28-19-17-27(18-20-28)31-29(25-13-7-3-8-14-25)30-26-15-9-4-10-16-26;;/h2-20H,21-23H2,1H3,(H,30,31);2*1H

InChIKey

DZRIPTSVTWDCCA-UHFFFAOYSA-N

Smiles

C(\c1ccccc1)(Nc1ccc(OCC[N@@H+](Cc2ccccc2)C)cc1)=[N+]/c1ccccc1.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 233mg/kg (233mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.
mouse LD50 oral 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.