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4-(4-CHLORO-alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-1-(3,3-DIPHENYL-4-OXO-4-PIPERIDINOBUTYL)-4-PIPERIDINOL, MONOHYDROCHLORIDE

View entire compound with spectra: 1 NMR, and 1 FTIR

4-(4-CHLORO-alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-1-(3,3-DIPHENYL-4-OXO-4-PIPERIDINOBUTYL)-4-PIPERIDINOL, MONOHYDROCHLORIDE
SpectraBase Compound ID 66KqHyQDp2Z
InChI InChI=1S/C33H36ClF3N2O2.ClH/c34-29-15-14-27(24-28(29)33(35,36)37)31(41)16-21-38(22-17-31)23-18-32(25-10-4-1-5-11-25,26-12-6-2-7-13-26)30(40)39-19-8-3-9-20-39;/h1-2,4-7,10-15,24,41H,3,8-9,16-23H2;1H
InChIKey MSOFFVORZQTYMR-UHFFFAOYSA-N
Mol Weight 621.6 g/mol
Molecular Formula C33H37Cl2F3N2O2
Exact Mass 620.218418 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7uQ9sDqJ0zR
Name 4-(4-CHLORO-alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-1-(3,3-DIPHENYL-4-OXO-4-PIPERIDINOBUTYL)-4-PIPERIDINOL, MONOHYDROCHLORIDE
Source of Sample R. Stokbroekx, Janssen Pharmaceutica N.V., Beerse, Belgium
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H37Cl2F3N2O2
InChI InChI=1S/C33H36ClF3N2O2.ClH/c34-29-15-14-27(24-28(29)33(35,36)37)31(41)16-21-38(22-17-31)23-18-32(25-10-4-1-5-11-25,26-12-6-2-7-13-26)30(40)39-19-8-3-9-20-39;/h1-2,4-7,10-15,24,41H,3,8-9,16-23H2;1H
InChIKey MSOFFVORZQTYMR-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 16, 782(1973)
Melting Point 204-205C
Molecular Weight 621.570984
Synonyms 4-PIPERIDINOL, 4-/4-CHLORO-A,A,A-TRI- FLUORO-M-TOLYL/-1-/3,3-DIPHENYL-4-OXO- 4-PIPERIDINOBUTYL/-, MONOHYDROCHLORIDE
Technique KBr WAFER