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Substance Name: Benzamidine, N'-(3,4-dichlorophenyl)-N-(p-(2-(diisopropylamino)ethoxy)phenyl)-, dihydrochloride
RN: 80785-16-6
InChIKey: QHXWQYAMOKQPQJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H31-Cl2-N3-O.2Cl-H

Molecular Weight

  • 557.39
 
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Names and Synonyms

Synonym

  • N'-(3,4-Dichlorophenyl)-N-(p-(2-(diisopropylamino)ethoxy)phenyl)benzamidine dihydrochloride

Systematic Name

  • Benzamidine, N'-(3,4-dichlorophenyl)-N-(p-(2-(diisopropylamino)ethoxy)phenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 80785-16-6

System Generated Number

  • 0080785166

Molecular Formulas

Molecular Formula

  • C27-H31-Cl2-N3-O.2Cl-H

Molecular Formula Fragments

  • C27-H31-Cl2-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H31Cl2N3O.2ClH/c1-19(2)32(20(3)4)16-17-33-24-13-10-22(11-14-24)30-27(21-8-6-5-7-9-21)31-23-12-15-25(28)26(29)18-23;;/h5-15,18-20H,16-17H2,1-4H3,(H,30,31);2*1H

InChIKey

QHXWQYAMOKQPQJ-UHFFFAOYSA-N

Smiles

C(\c1ccccc1)(Nc1ccc(OCC[NH+](C(C)C)C(C)C)cc1)=[N+]/c1cc(c(Cl)cc1)Cl.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.
mouse LD50 oral 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.