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

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

N-(8,9bbeta-dimethyl-1,2,3,4,4abeta,9b-hexahydro-4alpha-dibenzofuranyl)-4-methyl-1-piperazinepropionamide, dihydrochloride, hydrated
SpectraBase Compound ID IAUegr4FIo5
InChI InChI=1S/C22H33N3O2.2ClH.H2O/c1-16-6-7-19-17(15-16)22(2)9-4-5-18(21(22)27-19)23-20(26)8-10-25-13-11-24(3)12-14-25;;;/h6-7,15,18,21H,4-5,8-14H2,1-3H3,(H,23,26);2*1H;1H2/t18-,21-,22-;;;/m1.../s1
InChIKey UBPYCBDNDFIHRI-JLWWLWQISA-N
Mol Weight 462.46 g/mol
Molecular Formula C22H37Cl2N3O3
Exact Mass 461.221197 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID GfKWteDNNra
Name N-(8,9bbeta-DIMETHYL-1,2,3,4,4abeta,9b-HEXAHYDRO-4alpha-DIBENZOFURANYL)-4-METHYL-1-PIPERAZINEPROPIONAMIDE, DIHYDROCHLORIDE, HYDRATED
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 C22H37Cl2N3O3
InChI InChI=1S/C22H33N3O2.2ClH.H2O/c1-16-6-7-19-17(15-16)22(2)9-4-5-18(21(22)27-19)23-20(26)8-10-25-13-11-24(3)12-14-25;;;/h6-7,15,18,21H,4-5,8-14H2,1-3H3,(H,23,26);2*1H;1H2/t18-,21-,22-;;;/m1.../s1
InChIKey UBPYCBDNDFIHRI-JLWWLWQISA-N
Literature Reference J. MED. CHEM. 20, 197(1977)
Melting Point 208-209C
Synonyms 1-PIPERAZINEPROPIONAMIDE, N-/8,9BB-DIMETHYL-1,2,3,4,4AB,9B-HEXA- HYDRO-4A-DIBENZOFURANYL/-4-METHYL-, DIHYDROCHLORIDE, HYDRATED
Technique KBr WAFER