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Substance Name: Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride
RN: 100678-33-9
InChIKey: PEBQHHAQBMRTAI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N2-O.Cl-H

Molecular Weight

  • 296.84
 
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Names and Synonyms

Synonym

  • 4-Allyloxy-3,5-dipropylbenzamidine hydrochloride

Systematic Name

  • Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 100678-33-9

System Generated Number

  • 0100678339

Molecular Formulas

Molecular Formula

  • C16-H24-N2-O.Cl-H

Molecular Formula Fragments

  • C16-H24-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H24N2O.ClH/c1-4-7-12-10-14(16(17)18)11-13(8-5-2)15(12)19-9-6-3;/h6,10-11H,3-5,7-9H2,1-2H3,(H3,17,18);1H

InChIKey

PEBQHHAQBMRTAI-UHFFFAOYSA-N

Smiles

c1(c(cc(C(N)=[NH+])cc1CCC)CCC)OCC=C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 65mg/kg (65mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 179, 1960.