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N-(8,9bbeta-dimethyl-1,2,3,4,4abeta,9b-hexahydro-3-oxo-4alpha-dibenzofuranyl)-4-methyl-1-piperazinepropionamide, dihydrochloride, monohydrate

View entire compound with spectra: 1 FTIR, and 1 UV-Vis

N-(8,9bbeta-dimethyl-1,2,3,4,4abeta,9b-hexahydro-3-oxo-4alpha-dibenzofuranyl)-4-methyl-1-piperazinepropionamide, dihydrochloride, monohydrate
SpectraBase Compound ID HOkcikRFo4Z
InChI InChI=1S/C22H31N3O3.2ClH.H2O/c1-15-4-5-18-16(14-15)22(2)8-6-17(26)20(21(22)28-18)23-19(27)7-9-25-12-10-24(3)11-13-25;;;/h4-5,14,20-21H,6-13H2,1-3H3,(H,23,27);2*1H;1H2/t20-,21-,22-;;;/s2
InChIKey MIQGAKYZYTYPCW-YRWNZDKVSA-N
Mol Weight 476.445 g/mol
Molecular Formula C22H35Cl2N3O4
Exact Mass 475.200462 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID F2q1fUFjf1B
Name N-(8,9bbeta-DIMETHYL-1,2,3,4,4abeta,9b-HEXAHYDRO-3-OXO-4alpha-DIBENZOFURANYL)-4-METHYL-1-PIPERAZINEPROPIONAMIDE, DIHYDROCHLORIDE, MONOHYDRATE
Source of Sample D. A. Rowlands & J. B. Taylor, Roussel Laboratories Ltd., Wiltshire, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H35Cl2N3O4
InChI InChI=1S/C22H31N3O3.2ClH.H2O/c1-15-4-5-18-16(14-15)22(2)8-6-17(26)20(21(22)28-18)23-19(27)7-9-25-12-10-24(3)11-13-25;;;/h4-5,14,20-21H,6-13H2,1-3H3,(H,23,27);2*1H;1H2/t20-,21-,22-;;;/s2
InChIKey MIQGAKYZYTYPCW-YRWNZDKVSA-N
Literature Reference J. MED. CHEM. 20, 197(1977)
Melting Point 218-221C
Molecular Weight 476.438995
Synonyms 1-PIPERAZINEPROPIONAMIDE, N-/8,9BB-DIMETHYL-1,2,3,4,4AB,9B-HEXA- HYDRO-3-OXO-4A-DIBENZOFURANYL/- 4-METHYL-, DIHYDROCHLORIDE, MONOHYDRATE
Technique KBr WAFER