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Substance Name: Anisopirol [INN]
RN: 857-62-5
UNII: 162A01WTAJ
InChIKey: LCZRXFYSMJIDQQ-UHFFFAOYSA-N

Molecular Formula

  • C21-H27-F-N2-O2

Molecular Weight

  • 358.454
 
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Names and Synonyms

Name of Substance

  • Anisopirol [INN]

Synonyms

  • 1-(4-p-Fluorophenyl-4-hydroxybutyl)-4-o-methoxy-phenylpiperazine
  • 5-23-02-00063 (Beilstein Handbook Reference)
  • alpha-(3-(4-(o-Methoxyphenyl)-1-piperazinyl)propyl)-p-fluorobenzyl alcohol
  • Amisopirol
  • Anisopirol
  • Anisopirolum
  • BRN 0711238
  • Haloisol
  • NSC 167758
  • R 2159
  • UNII-162A01WTAJ

Systematic Names

  • 1-Piperazinebutanol, alpha-(4-fluorophenyl)-4-(2-methoxyphenyl)-
  • 1-Piperazinebutanol, alpha-(p-fluorophenyl)-4-(o-methoxyphenyl)-
  • Benzyl alcohol, alpha-(3-(4-(o-methoxyphenyl)-1-piperazinyl)propyl)-p-fluoro-

Registry Numbers

CAS Registry Number

  • 857-62-5

FDA UNII

  • 162A01WTAJ

Other Registry Number

  • 442-03-5

System Generated Number

  • 0000857625

Structure Descriptors

InChI

1S/C21H27FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11,20,25H,4,6,12-16H2,1H3

InChIKey

LCZRXFYSMJIDQQ-UHFFFAOYSA-N

Smiles

c1(N2CCN(CCC[C@@H](c3ccc(F)cc3)O)CC2)c(cccc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11366,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.4 (none)   EXP

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