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Substance Name: 2H-1,5-Benzodioxepin-7-methanamine, 3,4-dihydro-alpha-(2-phenylethyl)-, hydrochloride
RN: 180386-90-7
InChIKey: CDSHJWIIASUWEL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N-O2.Cl-H

Molecular Weight

  • 319.8298
 
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Names and Synonyms

Synonyms

  • 3,4-Dihydro-alpha-(2-phenylethyl)-2H-1,5-benzodioxepin-7-methanamine hydrochloride
  • 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride

Systematic Name

  • 2H-1,5-Benzodioxepin-7-methanamine, 3,4-dihydro-alpha-(2-phenylethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 180386-90-7

System Generated Number

  • 0180386907

Molecular Formulas

Molecular Formula

  • C18-H21-N-O2.Cl-H

Molecular Formula Fragments

  • C18-H21-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21NO2.ClH/c19-16(9-7-14-5-2-1-3-6-14)15-8-10-17-18(13-15)21-12-4-11-20-17;/h1-3,5-6,8,10,13,16H,4,7,9,11-12,19H2;1H

InChIKey

CDSHJWIIASUWEL-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCC(c2ccc3c(c2)OCCCO3)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 700mg/kg (700mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 87, 1996.