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Substance Name: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-chloro-, O-(2-(1-pyrrolidinyl)ethyl)oxime, monohydrochloride
RN: 55579-97-0
InChIKey: BDDFCDMXBGZMSC-MWIGPOFTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-Cl-N2-O2.Cl-H

Molecular Weight

  • 345.2678
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 55579-97-0

System Generated Number

  • 0055579970

Molecular Formulas

Molecular Formula

  • C16-H21-Cl-N2-O2.Cl-H

Molecular Formula Fragments

  • C16-H21-Cl-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21ClN2O2.ClH/c17-13-5-6-16-14(12-13)15(4-3-10-20-16)18-21-11-9-19-7-1-2-8-19;/h5-6,12H,1-4,7-11H2;1H/b18-15-;

InChIKey

BDDFCDMXBGZMSC-MWIGPOFTSA-N

Smiles

c1cc2c(cc1Cl)/C(=N\OCCN3CCCC3)/CCCO2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   United States Patent Document. Vol. #4179516,
mouse LD50 oral 450mg/kg (450mg/kg)   United States Patent Document. Vol. #4179516,