Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-8-chloro-N-methyl-N-2-propynyl-, hydrochloride
RN: 37483-80-0
InChIKey: JNWQABFLROTXCL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-Cl-N-O.Cl-H

Molecular Weight

  • 286.2
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2,3,4,5-Tetrahydro-8-chloro-N-methyl-N-2-propynyl-1-benzoxepin-5-amine hydrochloride
  • 5-(N-Methyl-N-propargylamino)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride

Systematic Name

  • 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-8-chloro-N-methyl-N-2-propynyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 37483-80-0

System Generated Number

  • 0037483800

Molecular Formulas

Molecular Formula

  • C14-H16-Cl-N-O.Cl-H

Molecular Formula Fragments

  • C14-H16-Cl-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H16ClNO.ClH/c1-3-8-16(2)13-5-4-9-17-14-10-11(15)6-7-12(13)14;/h1,6-7,10,13H,4-5,8-9H2,2H3;1H

InChIKey

JNWQABFLROTXCL-UHFFFAOYSA-N

Smiles

c12[C@@H](CCCOc1cc(Cl)cc2)[N@@H+](CC#C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 125mg/kg (125mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 868, 1972.