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Substance Name: Benzamidine, N-(p-(3-(diisopropylamino)propoxy)phenyl)-N'-(p-methoxyphenyl)-, dihydrochloride
RN: 80785-10-0
InChIKey: NZSWOCKGDRTOKT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H37-N3-O.2Cl-H

Molecular Weight

  • 532.552
 
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Names and Synonyms

Synonym

  • N-(p-(3-(Diisopropylamino)propoxy)phenyl)-N'-(p-methoxyphenyl)benzamidine dihydrochloride

Systematic Name

  • Benzamidine, N-(p-(3-(diisopropylamino)propoxy)phenyl)-N'-(p-methoxyphenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 80785-10-0

System Generated Number

  • 0080785100

Molecular Formulas

Molecular Formula

  • C29-H37-N3-O.2Cl-H

Molecular Formula Fragments

  • C29-H37-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H37N3O2.2ClH/c1-22(2)32(23(3)4)20-9-21-34-28-18-14-26(15-19-28)31-29(24-10-7-6-8-11-24)30-25-12-16-27(33-5)17-13-25;;/h6-8,10-19,22-23H,9,20-21H2,1-5H3,(H,30,31);2*1H

InChIKey

NZSWOCKGDRTOKT-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 108mg/kg (108mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.
mouse LD50 oral 450mg/kg (450mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.