Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride
RN: 41771-59-9
InChIKey: KTVMAEOYRVKPQJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H41-N-O3.Cl-H

Molecular Weight

  • 440.0638
 
* 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-(4-(4-Butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-1-propanone hydrochloride

Systematic Name

  • 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 41771-59-9

System Generated Number

  • 0041771599

Molecular Formulas

Molecular Formula

  • C25-H41-N-O3.Cl-H

Molecular Formula Fragments

  • C25-H41-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H41NO3.ClH/c1-3-5-18-28-19-10-11-20-29-25-13-12-23(21-22(25)4-2)24(27)14-17-26-15-8-6-7-9-16-26;/h12-13,21H,3-11,14-20H2,1-2H3;1H

InChIKey

KTVMAEOYRVKPQJ-UHFFFAOYSA-N

Smiles

CCCCOCCCCOc1ccc(cc1CC)C(=O)CCN2CCCCCC2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   Pharmazie. Vol. 28, Pg. 636, 1973.
mouse LD50 subcutaneous > 2gm/kg (2000mg/kg)   Pharmazie. Vol. 28, Pg. 189, 1973.