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Substance Name: 1-Butanone, 4-(4-acetyl-4-(3-hydroxyphenyl)-1-piperdinyl)-1-(4-fluorophenyl)-
RN: 34435-50-2
InChIKey: OYNHETROIZLKBD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-F-N-O3

Molecular Weight

  • 383.4604
 
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Names and Synonyms

Synonyms

  • 1-(4'-Oxo-4-(p-fluorophenyl)-n-butyl-1')-4-acetyl-4-(m-hydroxyphenyl)-piperidine
  • 4-(4-Acetyl-4-(3-hydroxyphenyl)-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone
  • Butyrophenone, 4-(4-acetyl-4-(m-hydroxyphenyl)piperidino)-4'-fluoro-
  • MR 560

Systematic Name

  • 1-Butanone, 4-(4-acetyl-4-(3-hydroxyphenyl)-1-piperdinyl)-1-(4-fluorophenyl)-

Registry Numbers

CAS Registry Number

  • 34435-50-2

System Generated Number

  • 0034435502

Structure Descriptors

InChI

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

InChIKey

OYNHETROIZLKBD-UHFFFAOYSA-N

Smiles

CC(=O)C1(CCN(CC1)CCCC(=O)c2ccc(cc2)F)c3cccc(c3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #3689492,
dog LD50 subcutaneous 240mg/kg (240mg/kg)   United States Patent Document. Vol. #3689492,
mouse LD50 subcutaneous 3870mg/kg (3870mg/kg)   United States Patent Document. Vol. #3689492,
rat LD50 subcutaneous 2600mg/kg (2600mg/kg)   United States Patent Document. Vol. #3689492,