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Substance Name: Dechlorohaloperidol
RN: 3109-12-4
UNII: QKZ09O18R6
InChIKey: FEFFZKPQSVTBAY-UHFFFAOYSA-N

Molecular Formula

  • C21-H24-F-N-O2

Molecular Weight

  • 341.4236
 
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Names and Synonyms

Name of Substance

  • Dechlorohaloperidol

Synonyms

  • 4-(4'-Phenyl-4'-hydroxypiperidino)-p-fluorobutyrophenone
  • 4-21-00-00656 (Beilstein Handbook Reference)
  • BRN 0316568
  • UNII-QKZ09O18R6

Systematic Name

  • Butyrophenone, 4'-fluoro-4-(4-hydroxy-4-phenylpiperidino)-

Registry Numbers

CAS Registry Number

  • 3109-12-4

FDA UNII

  • QKZ09O18R6

System Generated Number

  • 0003109124

Structure Descriptors

InChI

1S/C21H24FNO2/c22-19-10-8-17(9-11-19)20(24)7-4-14-23-15-12-21(25,13-16-23)18-5-2-1-3-6-18/h1-3,5-6,8-11,25H,4,7,12-16H2

InChIKey

FEFFZKPQSVTBAY-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12459,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.560 (none)   EST
Water Solubility 26 mg/L 20 EXP
Atmospheric OH Rate Constant 1.19E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.