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Xanthinol

View entire compound with spectra: 2 MS (GC)

Xanthinol
SpectraBase Compound ID K9GXMhXl6Hs
InChI InChI=1S/C13H21N5O4/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2/h8-9,19-20H,4-7H2,1-3H3
InChIKey DSFGXPJYDCSWTA-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C13H21N5O4
Exact Mass 311.159354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ga4ZLRHDf4X
Name 7-(2-Hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS Registry Number 2530-97-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21N5O4
InChI InChI=1S/C13H21N5O4/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2/h8-9,19-20H,4-7H2,1-3H3
InChIKey DSFGXPJYDCSWTA-UHFFFAOYSA-N
Molecular Weight 311.342 g/mol
SMILES OC(CN(CCO)C)C[n]1cnc2c1C(N(C(N2C)=O)C)=O
SPLASH splash10-000i-9100000000-9247e5f4cd0df38d0289
Synonyms 7-(2-Hydroxy-3-(N-(2-hydroxyethyl)-N-methylamino)propyl)theophylline 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethyl-purine-2,6-dione 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethyl-xanthine 7-[3-[2-hydroxyethyl(methyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione JUPAL Theophylline, 7-(2-hydroxy-3-(N-(2-hydroxyethyl)-N-methylamino)propyl)- Xanthinol XAVIN
Wiley ID 1509104