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Substance Name: 1H-Azepine, hexahydro-1-(2-(2-(2-(3-methyl-5-isoxazolyl)ethenyl)phenoxy)ethyl)-, monohydrochloride, (E)-
RN: 139193-90-1
InChIKey: SVZYXFNXKGAXNO-ASTDGNLGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-N2-O2.Cl-H

Molecular Weight

  • 362.8983
 
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Names and Synonyms

  • 1H-Azepine, hexahydro-1-(2-(2-(2-(3-methyl-5-isoxazolyl)ethenyl)phenoxy)ethyl)-, monohydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 139193-90-1

System Generated Number

  • 0139193901

Molecular Formulas

Molecular Formula

  • C20-H26-N2-O2.Cl-H

Molecular Formula Fragments

  • C20-H26-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26N2O2.ClH/c1-17-16-19(24-21-17)11-10-18-8-4-5-9-20(18)23-15-14-22-12-6-2-3-7-13-22;/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3;1H/b11-10+;

InChIKey

SVZYXFNXKGAXNO-ASTDGNLGSA-N

Smiles

Cc1cc(on1)/C=C/c2ccccc2OCCN3CCCCCC3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 20mg/kg (20mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 864, 1991.