Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride
RN: 35806-04-3
InChIKey: QNRLIDCENMQQIW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-F-N-O.Cl-H

Molecular Weight

  • 311.826
 
* 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

  • 4-(3,6-Dihydro-4,5-dimethyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-1-butanone hydrochloride

Systematic Name

  • 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 35806-04-3

System Generated Number

  • 0035806043

Molecular Formulas

Molecular Formula

  • C17-H22-F-N-O.Cl-H

Molecular Formula Fragments

  • C17-H22-F-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H22FNO.ClH/c1-13-9-11-19(12-14(13)2)10-3-4-17(20)15-5-7-16(18)8-6-15;/h5-8H,3-4,9-12H2,1-2H3;1H

InChIKey

QNRLIDCENMQQIW-UHFFFAOYSA-N

Smiles

C(CCC[N@@]1CC(=C(CC1)C)C)(=O)c1ccc(cc1)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1008, 1971.