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Substance Name: Benzenecarboximidamide, N-(4-methoxyphenyl)-4-methyl-N'-(4-(3-(1-pyrrolidinyl)propoxy)phenyl)-, dihydrobromide
RN: 80785-13-3
InChIKey: FRSPUMUQHBPLMS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H33-N3-O2.2Br-H

Molecular Weight

  • 605.4115
 
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Names and Synonyms

Synonyms

  • N'-(p-Methoxyphenyl)-N-(p-(3-pyrrolidinylpropoxy)phenyl)-p-toluamidine dihydrobromide
  • p-Toluamidine, N'-(p-methoxyphenyl)-N-(p-(3-pyrrolidinylpropoxy)phenyl)-, dihydrobromide

Systematic Name

  • Benzenecarboximidamide, N-(4-methoxyphenyl)-4-methyl-N'-(4-(3-(1-pyrrolidinyl)propoxy)phenyl)-, dihydrobromide

Registry Numbers

CAS Registry Number

  • 80785-13-3

System Generated Number

  • 0080785133

Molecular Formulas

Molecular Formula

  • C28-H33-N3-O2.2Br-H

Molecular Formula Fragments

  • Br-H
  • C28-H33-N3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C28H33N3O2.2BrH/c1-22-6-8-23(9-7-22)28(29-24-10-14-26(32-2)15-11-24)30-25-12-16-27(17-13-25)33-21-5-20-31-18-3-4-19-31;;/h6-17H,3-5,18-21H2,1-2H3,(H,29,30);2*1H

InChIKey

FRSPUMUQHBPLMS-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)/C(=N\c2ccc(cc2)OCCCN3CCCC3)/Nc4ccc(cc4)OC.Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 43mg/kg (43mg/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.