Penfluridol

• Formula: C₂₈H₂₇ClF₅NO
• Molecular weight: 523.965
• IUPAC Standard 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 Copy

  
• IUPAC Standard InChIKey: MDLAAYDRRZXJIF-UHFFFAOYSA-N Copy
• CAS Registry Number: 26864-56-2
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 4-Piperidinol, 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-; 4-Piperidinol, 4-(4-chloro-α,α,α-trifluoro-m-tolyl)-1-(4,4-bis(p-fluorophenyl)butyl)-; McN-JR-16,341; R 16341; Semap; TLP-607; 1-[4,4-Bis(p-fluorophenyl)butyl]-4-(4-chloro-α,α,α-trifluoro-m-tolyl)-4-piperidinol; 1-[4,4-Bis(p-flurophenyl)butyl]-4-(4-chloro-α,α,α-trifluoro-m-tolyl)-4-piperidinol; 1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinol; Penfuridol
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Buydens, Massart, et al., 1985
Buydens, L.; Massart, D.L.; Geerlings, P., Relationship Between Gas Chromatographic Behavior and Topological, Physicochemical, and Quantum Chemically Calculated Charge Parameters for Neuroleptica, J. Chromatogr. Sci., 1985, 23, 7, 304-307, https://doi.org/10.1093/chromsci/23.7.304 . [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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