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Substance Name: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-chloro-, O-(2-(dimethylamino)ethyl)oxime, monohydrochloride
RN: 55580-11-5
InChIKey: XINKUNLTYYMJBE-UNVLYCKESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-Cl-N2-O2.Cl-H

Molecular Weight

  • 319.23
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 55580-11-5

System Generated Number

  • 0055580115

Molecular Formulas

Molecular Formula

  • C14-H19-Cl-N2-O2.Cl-H

Molecular Formula Fragments

  • C14-H19-Cl-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H19ClN2O2.ClH/c1-17(2)7-9-19-16-13-4-3-8-18-14-6-5-11(15)10-12(13)14;/h5-6,10H,3-4,7-9H2,1-2H3;1H/b16-13-;

InChIKey

XINKUNLTYYMJBE-UNVLYCKESA-N

Smiles

CN(C)CCO/N=C\1/CCCOc2c1cc(cc2)Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   United States Patent Document. Vol. #4179516,
mouse LD50 oral 150mg/kg (150mg/kg)   United States Patent Document. Vol. #4179516,