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Substance Name: Benzamidine, N-(p-((2-(diisopropylamino)ethyl)thio)phenyl)-N'-phenyl-, dihydrochloride
RN: 80784-95-8
InChIKey: CXICPDHLXRKZQH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H33-N3-S.2Cl-H

Molecular Weight

  • 593.469
 
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Names and Synonyms

Synonym

  • N-(p-((2-(Diisopropylamino)ethyl)thio)phenyl)-N'-phenyl-benzamidine dihydrochloride

Systematic Name

  • Benzamidine, N-(p-((2-(diisopropylamino)ethyl)thio)phenyl)-N'-phenyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 80784-95-8

System Generated Number

  • 0080784958

Molecular Formulas

Molecular Formula

  • C27-H33-N3-S.2Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C27H33N3S.2BrH/c1-21(2)30(22(3)4)19-20-31-26-17-15-25(16-18-26)29-27(23-11-7-5-8-12-23)28-24-13-9-6-10-14-24;;/h5-18,21-22H,19-20H2,1-4H3,(H,28,29);2*1H

InChIKey

CXICPDHLXRKZQH-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 285mg/kg (285mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.
mouse LD50 oral 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.