Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-11-oxo, 2-(diethyl amino)ethyl ester, hydrochloride
RN: 63883-13-6
InChIKey: YQYGOPWDCVUEGQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N-O4.Cl-H

Molecular Weight

  • 403.903
 
* 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

Synonym

  • N,N-Diethylaminoethyl 6,11-dihydro-11-oxodibenz(b,e)oxepin-3-acetate hydrochloride

Systematic Name

  • Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-11-oxo, 2-(diethyl amino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 63883-13-6

System Generated Number

  • 0063883136

Molecular Formulas

Molecular Formula

  • C22-H26-N-O4.Cl-H

Molecular Formula Fragments

  • C22-H26-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25NO4.ClH/c1-3-23(4-2)11-12-26-21(24)14-16-9-10-19-20(13-16)27-15-17-7-5-6-8-18(17)22(19)25;/h5-10,13H,3-4,11-12,14-15H2,1-2H3;1H

InChIKey

YQYGOPWDCVUEGQ-UHFFFAOYSA-N

Smiles

c12c(C(c3ccccc3CO2)=O)ccc(c1)CC(OCC[NH+](CC)CC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 633, 1978.