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

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

N-(8,9bbeta-dimethyl-1,2,3,4,4abeta,9b-hexahydro-3-oxo-4a-dibenzofuranyl)-4-methyl-1-piperazineacetamide, dihydrochloride, monohydrate
SpectraBase Compound ID KohPYtCQqOh
InChI InChI=1S/C21H29N3O3.2ClH.H2O/c1-14-4-5-17-15(12-14)21(2)7-6-16(25)19(20(21)27-17)22-18(26)13-24-10-8-23(3)9-11-24;;;/h4-5,12,19-20H,6-11,13H2,1-3H3,(H,22,26);2*1H;1H2/t19-,20-,21-;;;/s2
InChIKey IMXXOZICGWYQES-VGSQDLMDSA-N
Mol Weight 462.418 g/mol
Molecular Formula C21H33Cl2N3O4
Exact Mass 461.184812 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID GDAHtn3hpO6
Name N-(8,9bbeta-DIMETHYL-1,2,3,4,4abeta,9b-HEXAHYDRO-3-OXO-4alpha-DIBENZOFURANYL)-4-METHYL-1-PIPERAZINEACETAMIDE, 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 C21H33Cl2N3O4
InChI InChI=1S/C21H29N3O3.2ClH.H2O/c1-14-4-5-17-15(12-14)21(2)7-6-16(25)19(20(21)27-17)22-18(26)13-24-10-8-23(3)9-11-24;;;/h4-5,12,19-20H,6-11,13H2,1-3H3,(H,22,26);2*1H;1H2/t19-,20-,21-;;;/s2
InChIKey IMXXOZICGWYQES-VGSQDLMDSA-N
Literature Reference J. MED. CHEM. 20, 197(1977)
Melting Point 155-160C
Molecular Weight 462.411987
Synonyms 1-PIPERAZINEACETAMIDE, N-/8,9BB-DI- METHYL-1,2,3,4,4AB,9B-HEXAHYDRO-3-OXO- 4A-DIBENZOFURANYL/-4-METHYL-, DIHYDRO- CHLORIDE, MONOHYDRATE
Technique KBr WAFER