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1-(3,3-DIPHENYL-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-4-OXO-4-(1-PYRROLIDINYL)BUTYL]-4-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-4-PIPERIDINOL, MONOHYDROCHLORIDE, DIHYDRATE
SpectraBase Compound ID EqXgWHD03Wn
InChI InChI=1S/C32H35F3N2O2.ClH.2H2O/c33-32(34,35)28-15-9-14-27(24-28)30(39)16-21-36(22-17-30)23-18-31(25-10-3-1-4-11-25,26-12-5-2-6-13-26)29(38)37-19-7-8-20-37;;;/h1-6,9-15,24,39H,7-8,16-23H2;1H;2*1H2
InChIKey CJPRHACKIDRXBM-UHFFFAOYSA-N
Mol Weight 609.13 g/mol
Molecular Formula C32H40ClF3N2O4
Exact Mass 608.26287 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 4czrUclkFRa
Name 1-(3,3-DIPHENYL-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 C32H40ClF3N2O4
InChI InChI=1S/C32H35F3N2O2.ClH.2H2O/c33-32(34,35)28-15-9-14-27(24-28)30(39)16-21-36(22-17-30)23-18-31(25-10-3-1-4-11-25,26-12-5-2-6-13-26)29(38)37-19-7-8-20-37;;;/h1-6,9-15,24,39H,7-8,16-23H2;1H;2*1H2
InChIKey CJPRHACKIDRXBM-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 16, 782(1973)
Melting Point 117-118C
Molecular Weight 609.132019
Synonyms 4-PIPERIDINOL, 1-/3,3-DIPHENYL-4-OXO- 4-/1-PYRROLIDINYL/BUTYL/-4-/A,A,A-TRI- FLUORO-M-TOLYL/-, MONOHYDROCHLORIDE, DIHYDRATE
Technique KBr WAFER