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7-{2-[4-(p-fluorobenzoyl)piperidino]ethyl]theophylline
SpectraBase Compound ID 9w90AhVtiV0
InChI InChI=1S/C21H24FN5O3/c1-24-19-17(20(29)25(2)21(24)30)27(13-23-19)12-11-26-9-7-15(8-10-26)18(28)14-3-5-16(22)6-4-14/h3-6,13,15H,7-12H2,1-2H3
InChIKey PMEYQPKJAPXGPS-UHFFFAOYSA-N
Mol Weight 413.45 g/mol
Molecular Formula C21H24FN5O3
Exact Mass 413.186318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OK3m7v2Jdn
Name 1,3-Dimethylxanthine, 7-[4[2-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-
CAS Registry Number 82190-91-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24FN5O3
InChI InChI=1S/C21H24FN5O3/c1-24-19-17(20(29)25(2)21(24)30)27(13-23-19)12-11-26-9-7-15(8-10-26)18(28)14-3-5-16(22)6-4-14/h3-6,13,15H,7-12H2,1-2H3
InChIKey PMEYQPKJAPXGPS-UHFFFAOYSA-N
Molecular Weight 413.453 g/mol
SMILES c12c(C(N(C)C(=O)N2C)=O)[n](cn1)CCN1CCC(CC1)C(=O)c1ccc(cc1)F
SPLASH splash10-00di-2190000000-4fc6ff27a483330185db
Synonyms 1H-Purine-2,6-dione, 7-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-3,7-dihydro-1,3-dimethyl- 7-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)theophylline 7-(2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 7-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1,3-dimethyl-purine-2,6-dione 7-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione 7-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]-1,3-dimethyl-xanthine 7-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione 7-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-1,3-dimethylpurine-2,6-dione Flufyllin Flufylline Theophylline, 7-(2-(4-(p-fluorobenzoyl)piperidino)ethyl)- SGD 195 78
Wiley ID 1477840