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Substance Name: Butyrophenone, 4'-fluoro-4-(7-hydroxyspiro(benzopyran-3(2H),4'-piperidin)-1'-yl)-, hydrochloride, hemihydrate
RN: 73962-19-3
InChIKey: NMGPKQCLFQDDEI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-F-N-O3.Cl-H.1/2H2-O

Molecular Weight

  • 405.8945
 
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Names and Synonyms

  • Butyrophenone, 4'-fluoro-4-(7-hydroxyspiro(benzopyran-3(2H),4'-piperidin)-1'-yl)-, hydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 73962-19-3

System Generated Number

  • 0073962193

Molecular Formulas

Molecular Formula

  • C22-H24-F-N-O3.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C22-H24-F-N-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H24FNO3.ClH/c23-17-8-6-16(7-9-17)19(25)5-2-12-24-13-10-22(11-14-24)15-27-21-18(22)3-1-4-20(21)26;/h1,3-4,6-9,26H,2,5,10-15H2;1H

InChIKey

NMGPKQCLFQDDEI-UHFFFAOYSA-N

Smiles

c1cc2c(c(c1)O)OCC23CCN(CC3)CCCC(=O)c4ccc(cc4)F.Cl

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. 15, Pg. 71, 1980.