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1-[3,3-diphenyl-2-methyl-4-oxo-4-(1-pyrrolidinyl)butyl]-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-piperidinol, monohydrochloride, dihydrate

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

1-[3,3-diphenyl-2-methyl-4-oxo-4-(1-pyrrolidinyl)butyl]-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-piperidinol, monohydrochloride, dihydrate
SpectraBase Compound ID AbtB5txSlwq
InChI InChI=1S/C33H37F3N2O2.ClH.2H2O/c1-25(24-37-21-17-31(40,18-22-37)28-15-10-16-29(23-28)33(34,35)36)32(26-11-4-2-5-12-26,27-13-6-3-7-14-27)30(39)38-19-8-9-20-38;;;/h2-7,10-16,23,25,40H,8-9,17-22,24H2,1H3;1H;2*1H2
InChIKey NMDNBUMSLRSEOK-UHFFFAOYSA-N
Mol Weight 623.2 g/mol
Molecular Formula C33H42ClF3N2O4
Exact Mass 622.27852 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID KlbjwBhqAKX
Name 1-[3,3-DIPHENYL-2-METHYL-4-OXO-4-(1-PYRROLIDINYL)BUTYL]-4-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-4-PIPERIDINOL, MONOHYDROCHLORIDE, DIHYDRATE
Source of Sample R. Stokbroekx, Janssen Pharmaceutica N.V., Beerse, Belgium
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H42ClF3N2O4
InChI InChI=1S/C33H37F3N2O2.ClH.2H2O/c1-25(24-37-21-17-31(40,18-22-37)28-15-10-16-29(23-28)33(34,35)36)32(26-11-4-2-5-12-26,27-13-6-3-7-14-27)30(39)38-19-8-9-20-38;;;/h2-7,10-16,23,25,40H,8-9,17-22,24H2,1H3;1H;2*1H2
InChIKey NMDNBUMSLRSEOK-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 16, 782(1973)
Melting Point 133-134C
Molecular Weight 623.158997
Synonyms 4-PIPERIDINOL, 1-/3,3-DIPHENYL- 2-METHYL-4-OXO-4-/1-PYRROLIDINYL/- BUTYL/-4-/A,A,A-TRIFLUORO-M-TOLYL/-, MONOHYDROCHLORIDE, DIHYDRATE
Technique KBr WAFER