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Substance Name: Benzamidine, N-(p-(2-(diisopropylamino)ethoxy)phenyl)-4-methoxy-N'-phenyl-, dihydrochloride
RN: 80785-20-2
InChIKey: OVURSQSWFHYTIE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H35-N3-O2.2Cl-H

Molecular Weight

  • 518.525
 
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Names and Synonyms

Synonym

  • N-(p-(2-(Diisopropylamino)ethoxy)phenyl)-p-methoxy-N'-phenyl-benzamidine dihydrochloride

Systematic Name

  • Benzamidine, N-(p-(2-(diisopropylamino)ethoxy)phenyl)-4-methoxy-N'-phenyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 80785-20-2

System Generated Number

  • 0080785202

Molecular Formulas

Molecular Formula

  • C28-H35-N3-O2.2Cl-H

Molecular Formula Fragments

  • C28-H35-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H35N3O2.2ClH/c1-21(2)31(22(3)4)19-20-33-27-17-13-25(14-18-27)30-28(29-24-9-7-6-8-10-24)23-11-15-26(32-5)16-12-23;;/h6-18,21-22H,19-20H2,1-5H3,(H,29,30);2*1H

InChIKey

OVURSQSWFHYTIE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.
mouse LD50 oral 475mg/kg (475mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.