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Substance Name: Benzamidine, N-(o-(2-(diisopropylamino)ethoxy)phenyl)-N'-phenyl-, dihydrochloride
RN: 80784-97-0
InChIKey: DBIASIUPJSXGAG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H33-N3-O.2Cl-H

Molecular Weight

  • 488.5
 
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Names and Synonyms

Synonym

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

Systematic Name

  • Benzamidine, N-(o-(2-(diisopropylamino)ethoxy)phenyl)-N'-phenyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 80784-97-0

System Generated Number

  • 0080784970

Molecular Formulas

Molecular Formula

  • C27-H33-N3-O.2Cl-H

Molecular Formula Fragments

  • C27-H33-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H33N3O.2ClH/c1-21(2)30(22(3)4)19-20-31-26-18-12-11-17-25(26)29-27(23-13-7-5-8-14-23)28-24-15-9-6-10-16-24;;/h5-18,21-22H,19-20H2,1-4H3,(H,28,29);2*1H

InChIKey

DBIASIUPJSXGAG-UHFFFAOYSA-N

Smiles

C(\c1ccccc1)(Nc1c(OCC[NH+](C(C)C)C(C)C)cccc1)=[N+]/c1ccccc1.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 253mg/kg (253mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.
mouse LD50 oral 840mg/kg (840mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.