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Substance Name: 1,4-Benzodioxin-6-propanamine, 2,3-dihydro-alpha-(4-fluorophenyl)-, hydrochloride
RN: 93638-03-0
InChIKey: IXKJKGBVYJVIJW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-F-N-O2.Cl-H

Molecular Weight

  • 323.793
 
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Names and Synonyms

Synonyms

  • 1,4-Benzodioxan-6-propylamine, alpha-(p-fluorophenyl)-, hydrochloride
  • 2,3-Dihydro-alpha-(4-fluorophenyl)-1,4-benzodioxin-6-propanamine hydrochloride
  • alpha-(p-Fluorophenyl)-1,4-benzodioxan-6-propylamine hydrochloride

Systematic Name

  • 1,4-Benzodioxin-6-propanamine, 2,3-dihydro-alpha-(4-fluorophenyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 93638-03-0

System Generated Number

  • 0093638030

Molecular Formulas

Molecular Formula

  • C17-H18-F-N-O2.Cl-H

Molecular Formula Fragments

  • C17-H18-F-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H18FNO2.ClH/c18-14-5-3-13(4-6-14)15(19)7-1-12-2-8-16-17(11-12)21-10-9-20-16;/h2-6,8,11,15H,1,7,9-10,19H2;1H

InChIKey

IXKJKGBVYJVIJW-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)CC[C@@H](c1ccc(F)cc1)[NH3+])OCCO2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 275mg/kg (275mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 471, 1984.