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4-(3,4-dichlorophenyl)-1-[3,3-diphenyl-4-oxo-4-(1-pyrrolidinyl)butyl]-4-piperidinol, monohydrochloride
SpectraBase Compound ID EgMnSKhU2PZ
InChI InChI=1S/C31H34Cl2N2O2.ClH/c32-27-14-13-26(23-28(27)33)30(37)15-20-34(21-16-30)22-17-31(24-9-3-1-4-10-24,25-11-5-2-6-12-25)29(36)35-18-7-8-19-35;/h1-6,9-14,23,37H,7-8,15-22H2;1H
InChIKey SHTUPOQQLLGWBF-UHFFFAOYSA-N
Mol Weight 574.0 g/mol
Molecular Formula C31H35Cl3N2O2
Exact Mass 572.176411 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FmkP84YAIsu
Name 4-(3,4-DICHLOROPHENYL)-1-[3,3-DIPHENYL-4-OXO-4-(1-PYRROLIDINYL)BUTYL]-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 C31H35Cl3N2O2
InChI InChI=1S/C31H34Cl2N2O2.ClH/c32-27-14-13-26(23-28(27)33)30(37)15-20-34(21-16-30)22-17-31(24-9-3-1-4-10-24,25-11-5-2-6-12-25)29(36)35-18-7-8-19-35;/h1-6,9-14,23,37H,7-8,15-22H2;1H
InChIKey SHTUPOQQLLGWBF-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 16, 782(1973)
Melting Point 200-201C
Molecular Weight 573.982971
Synonyms 4-PIPERIDINOL, 4-/3,4-DICHLORO- PHENYL/-1-/3,3-DIPHENYL-4-OXO- 5-/1-PYRROLIDINYL/BUTYL/-, MONOHYDRO- CHLORIDE
Technique KBr WAFER