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Substance Name: 1-Butanone, 4-(1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-1-(4-fluorophenyl)-, Hydrochloride (9CI)
RN: 63377-07-1
InChIKey: QEWCPLIKDYFAEY-UHFFFAOYSA-N

Molecular Formula

  • C18-H24-F-N-O3.Cl-H

Molecular Weight

  • 357.85
 
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Names and Synonyms

Synonym

  • 1,3-Dioxa-9-azaspiro(5.5)undecane, 9-(3-(p-fluorobenzoyl)propyl)-, hydrochloride

Systematic Names

  • 1-Butanone, 4-(1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-1-(4-fluorophenyl)-, Hydrochloride (9CI)
  • Butyrophenone, 4-(1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-4'-fluoro-, hydrochloride

Registry Numbers

CAS Registry Number

  • 63377-07-1

System Generated Number

  • 0063377071

Molecular Formulas

Molecular Formula

  • C18-H24-F-N-O3.Cl-H

Molecular Formula Fragments

  • C18-H24-F-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H24FNO3.ClH/c19-16-5-3-15(4-6-16)17(21)2-1-10-20-11-7-18(8-12-20)9-13-22-14-23-18;/h3-6H,1-2,7-14H2;1H

InChIKey

QEWCPLIKDYFAEY-UHFFFAOYSA-N

Smiles

C12(CC[NH+](CCCC(c3ccc(F)cc3)=O)CC1)CCOCO2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 35, 1977.