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Substance Name: 1-Butanone, 2-(acetyloxy)-1-(4-fluorophenyl)-4-(4-phenyl-1-piperazinyl)-, maleate
RN: 95217-22-4
InChIKey: DIARMYURHVVENN-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-F-N2-O3.C4-H4-O4

Molecular Weight

  • 500.52
 
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Names and Synonyms

Synonyms

  • 1-(4-Fluorophenyl)-2-(acetyloxy)-4-(4-phenyl-1-piperazinyl)-1-butanone maleate
  • Acetic acid, 1-(4-fluorobenzoyl)-3-(4-phenyl-1-piperazinyl)propyl ester, maleate

Systematic Name

  • 1-Butanone, 2-(acetyloxy)-1-(4-fluorophenyl)-4-(4-phenyl-1-piperazinyl)-, maleate

Registry Numbers

CAS Registry Number

  • 95217-22-4

System Generated Number

  • 0095217224

Molecular Formulas

Molecular Formula

  • C22-H25-F-N2-O3.C4-H4-O4

Molecular Formula Fragments

  • C22-H25-F-N2-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25FN2O3.C4H4O4/c1-17(26)28-21(22(27)18-7-9-19(23)10-8-18)11-12-24-13-15-25(16-14-24)20-5-3-2-4-6-20;5-3(6)1-2-4(7)8/h2-10,21H,11-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

DIARMYURHVVENN-BTJKTKAUSA-N

Smiles

N1(CCN(CC1)CC[C@@H](C(c1ccc(cc1)F)=O)OC(=O)C)c1ccccc1.C(\C=C/C(O)=O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 575mg/kg (575mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 815, 1985.