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Substance Name: 1-Butanone, 1-(4-fluorophenyl)-4-(5-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-, HCl (9CI)
RN: 63377-08-2
InChIKey: ZRKNHLCOLFLDBM-UHFFFAOYSA-N

Molecular Formula

  • C19-H26-F-N-O3.Cl-H

Molecular Weight

  • 371.877
 
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Names and Synonyms

Synonym

  • 1,3-Dioxa-9-azaspiro(5.5)undecane, 5-methyl-9-(3-(p-fluorobenzoyl)propyl)-, hydrochloride

Systematic Names

  • 1-Butanone, 1-(4-fluorophenyl)-4-(5-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-, HCl (9CI)
  • Butyrophenone, 4'-fluoro-4-(5-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 63377-08-2

System Generated Number

  • 0063377082

Molecular Formulas

Molecular Formula

  • C19-H26-F-N-O3.Cl-H

Molecular Formula Fragments

  • C19-H26-F-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H26FNO3.ClH/c1-15-13-23-14-24-19(15)8-11-21(12-9-19)10-2-3-18(22)16-4-6-17(20)7-5-16;/h4-7,15H,2-3,8-14H2,1H3;1H

InChIKey

ZRKNHLCOLFLDBM-UHFFFAOYSA-N

Smiles

C12(CC[NH+](CCCC(c3ccc(F)cc3)=O)CC1)[C@@H](COCO2)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 35, 1977.