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Substance Name: Butyrophenone, 4-(5-ethyl-2-(m-fluorophenyl)-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-4'-fluoro-, hydrochloride, hydrate
RN: 74203-69-3
InChIKey: QWSKKPFYSYBPDU-UHFFFAOYSA-N

Molecular Formula

  • C26-H31-F2-N-O3.Cl-H.H2-O

Molecular Weight

  • 479.992
 
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Names and Synonyms

Synonym

  • 1,3-Dioxa-9-azaspiro(5.5)undecane, 5-ethyl-9-(3-(fluorobenzoyl)propyl)-2-(m-fluorophenyl)-

Systematic Name

  • Butyrophenone, 4-(5-ethyl-2-(m-fluorophenyl)-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-4'-fluoro-, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 74203-69-3

System Generated Number

  • 0074203693

Molecular Formulas

Molecular Formula

  • C26-H31-F2-N-O3.Cl-H.H2-O

Molecular Formula Fragments

  • C26-H31-F2-N-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H31F2NO3.ClH/c1-2-21-18-31-25(20-5-3-6-23(28)17-20)32-26(21)12-15-29(16-13-26)14-4-7-24(30)19-8-10-22(27)11-9-19;/h3,5-6,8-11,17,21,25H,2,4,7,12-16,18H2,1H3;1H

InChIKey

QWSKKPFYSYBPDU-UHFFFAOYSA-N

Smiles

C12([C@@H](CO[C@@H](O1)c1cc(ccc1)F)CC)CC[NH+](CCCC(c1ccc(F)cc1)=O)CC2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 225mg/kg (225mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 35, 1977.