1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinol | CAS No. 26864-56-2

1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinol

Basic Information

CAS Number

26864-56-2

Molecular Formula

C28H27ClF5NO

Molecular Weight

523.97 g/mol

AD

Basic Physical Properties

Melting Point

106.0 to 110.0 deg-C

Boiling Point

587.7°C at 760 mmHg

Flash Point

309.2 °C

Solubility

H2O: insoluble

Refractive Index

1.552

C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2

InChIKey

MDLAAYDRRZXJIF-UHFFFAOYSA-N

LogP

7.532700000000007

Topological Polar Surface Area

23.47 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

647

Safety Information

View Safety Information

GHS Hazard Pictograms

H301H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 orally in mice (day 7): 86.8 mg/kg (Janssen)

Synonyms & References

English

  • NCGC00165865-02
  • MFCD00866714
  • 4-Piperidinol, 4-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-1-(4,4-bis(p-fluorophenyl)butyl)-
  • Penfluridol, >=97% (HPLC), powder
  • 1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinol
  • AKOS005065828
  • PENFLURIDOL [USAN]
  • PENFLURIDOL [MART.]
  • NSC759179
  • SBI-0206898.P001
  • BCP9000014
  • FT-0645031
  • EINECS 248-074-5
  • Tox21_113546_1
  • R-16341
  • CS-4633
  • PENFLURIDOL [WHO-DD]
  • PENFLURIDOL [MI]
  • 1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3(trifluoromethyl)phenyl]-4-piperidinol
  • MCN-JR-16341
  • NCGC00165865-03
  • 4-Piperidinol,1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-
  • NCGC00165865-01
  • 4-Piperidinol, 1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)-
  • BRN 1558826
  • Micefal
  • PENFLURIDOL1-[4,4-Bis-(4-fluoro-phenyl)-butyl]-4-(4-chloro-3-trifluoromethyl-phenyl)-piperidin-4-ol
  • BCP03695
  • 1-(4,4-Bis(p-fluorophenyl)butyl)-4-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-4-piperidinol
  • R16341
  • S4151

MDL Number

MFCD00866714

Customs Code

2942000000

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