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Substance Name: Benzamidine, 4-(2-(diisopropylamino)ethyl)-N,N'-diphenyl-, dihydrochloride
RN: 80785-22-4
InChIKey: XVVNIYVSUVUGBR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H33-N3.2Cl-H

Molecular Weight

  • 472.5
 
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Names and Synonyms

Synonym

  • p-(2-(Diisopropylamino)ethyl)-N,N'-diphenyl-benzamidine dihydrochloride

Systematic Name

  • Benzamidine, 4-(2-(diisopropylamino)ethyl)-N,N'-diphenyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 80785-22-4

System Generated Number

  • 0080785224

Molecular Formulas

Molecular Formula

  • C27-H33-N3.2Cl-H

Molecular Formula Fragments

  • C27-H33-N3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H33N3.2ClH/c1-21(2)30(22(3)4)20-19-23-15-17-24(18-16-23)27(28-25-11-7-5-8-12-25)29-26-13-9-6-10-14-26;;/h5-18,21-22H,19-20H2,1-4H3,(H,28,29);2*1H

InChIKey

XVVNIYVSUVUGBR-UHFFFAOYSA-N

Smiles

C(\c1ccc(CC[NH+](C(C)C)C(C)C)cc1)(Nc1ccccc1)=[N+]/c1ccccc1.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 160mg/kg (160mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.
mouse LD50 oral 587mg/kg (587mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.