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Substance Name: Butyrophenone, 4'-fluoro-4-(2-methoxyspiro(benzofuran-3(2H),4'-piperidin)-1'-yl)-, oxalate, hemihydrate
RN: 73962-22-8
InChIKey: GZXSYCUXHPCIDB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-F-N-O3.C2-H2-O4.1/2H2-O

Molecular Weight

  • 473.4942
 
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Names and Synonyms

  • Butyrophenone, 4'-fluoro-4-(2-methoxyspiro(benzofuran-3(2H),4'-piperidin)-1'-yl)-, oxalate, hemihydrate

Registry Numbers

CAS Registry Number

  • 73962-22-8

System Generated Number

  • 0073962228

Molecular Formulas

Molecular Formula

  • C23-H26-F-N-O3.C2-H2-O4.1/2H2-O

Molecular Formula Fragments

  • C2-H2-O4
  • C23-H26-F-N-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H26FNO3.C2H2O4/c1-27-22-23(19-5-2-3-7-21(19)28-22)12-15-25(16-13-23)14-4-6-20(26)17-8-10-18(24)11-9-17;3-1(4)2(5)6/h2-3,5,7-11,22H,4,6,12-16H2,1H3;(H,3,4)(H,5,6)

InChIKey

GZXSYCUXHPCIDB-UHFFFAOYSA-N

Smiles

COC1C2(CC[NH+](CC2)CCCC(=O)c3ccc(cc3)F)c4ccccc4O1.C(=O)(C(=O)[O-])O

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.