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Substance Name: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-chloro-, O-(2-(4-morpholinyl)ethyl)oxime, monohydrochloride
RN: 55579-96-9
InChIKey: ZHXZXUACDPKJON-MWIGPOFTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-Cl-N2-O3.Cl-H

Molecular Weight

  • 361.2668
 
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Names and Synonyms

Synonym

  • 7-Chloro-3,4-dihydro-1-benzoxepin-O-(morpholinoethyl)-5-one oxime hydrochloride

Systematic Name

  • 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-chloro-, O-(2-(4-morpholinyl)ethyl)oxime, monohydrochloride

Registry Numbers

CAS Registry Number

  • 55579-96-9

System Generated Number

  • 0055579969

Molecular Formulas

Molecular Formula

  • C16-H21-Cl-N2-O3.Cl-H

Molecular Formula Fragments

  • C16-H21-Cl-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21ClN2O3.ClH/c17-13-3-4-16-14(12-13)15(2-1-8-21-16)18-22-11-7-19-5-9-20-10-6-19;/h3-4,12H,1-2,5-11H2;1H/b18-15-;

InChIKey

ZHXZXUACDPKJON-MWIGPOFTSA-N

Smiles

c1cc2c(cc1Cl)/C(=N\OCCN3CCOCC3)/CCCO2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 120mg/kg (120mg/kg)   United States Patent Document. Vol. #4179516,
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4179516,