Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)-2-(hexahydro-1H-azepin-1-yl)-, (Z)-2-butenedioate (1:1)
RN: 55020-18-3
InChIKey: WKQJXLLNVWEVPK-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-N-O.C4-H4-O4

Molecular Weight

  • 373.446
 
* 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

  • 1-(2,3-Dihydro-1H-inden-5-yl)-2-(hexahydro-1H-azepin-1-yl)ethanone maleate

Systematic Name

  • Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)-2-(hexahydro-1H-azepin-1-yl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 55020-18-3

System Generated Number

  • 0055020183

Molecular Formulas

Molecular Formula

  • C17-H23-N-O.C4-H4-O4

Molecular Formula Fragments

  • C17-H23-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H23NO.C4H4O4/c19-17(13-18-10-3-1-2-4-11-18)16-9-8-14-6-5-7-15(14)12-16;5-3(6)1-2-4(7)8/h8-9,12H,1-7,10-11,13H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

WKQJXLLNVWEVPK-BTJKTKAUSA-N

Smiles

c12c(ccc(c1)C(C[NH+]1CCCCCC1)=O)CCC2.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg) BEHAVIORAL: EXCITEMENT Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 617, 1974.