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Xanthinol niacinate

View entire compound with spectra: 1 MS (GC)

Xanthinol niacinate
SpectraBase Compound ID 4BwoWHY7d9y
InChI InChI=1S/C13H21N5O4.C6H5NO2/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2;8-6(9)5-2-1-3-7-4-5/h8-9,19-20H,4-7H2,1-3H3;1-4H,(H,8,9)
InChIKey GEPMAHVDJHFBJI-UHFFFAOYSA-N
Mol Weight 434.45 g/mol
Molecular Formula C19H26N6O6
Exact Mass 434.191383 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9fpR15044g
Name Xanthinol niacinate
Alternate Name(s) 3-Pyridinecarboxylic acid & {3,7-dihydro-7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-1,} 3-dimethyl-1H-purine-2,6-dione (1:1) 3-Pyridinecarboxylic acid, compd. with 3, {7-dihydro-7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-1,} 3-dimethyl-1H-purine-2,6-dione (1:1) 7-(2-Hydroxy-3-((2-hydroxyethyl)methylamino)propyl)theophylline compd. with nicotinic acid 7-(3-(N-(2-hydroxyethyl)amino)-2-hydroxypropyl)thiophylline nicotinate 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethyl-purine-2,6-dione; nicotinic acid 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione; pyridine-3-carboxylic acid Angioamin Angiomin Complamex Complamin Complamin retard Contamex Landrina Methoxylin, compd. with nicotinic acid Nicotinate de xantinol Nicotinato de xantinol Nicotinic acid, compd. with 3,7-dihydro-7-(2-hydroxy-3-((2-hydroxyethyl) methylamino)propyl)-1,3-dimethyl-1H-purine-2,6-dione Nicotinic acid, compd. with {7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]theophylline} (1:1) Sadamin Sadamine Stenalgil Teonicol Vedrin Xanidil xanthinol nicotinate Xanthinolium nicotinicum Xantinol nicotinate Xantinoli nicotinas Xantinolo nicotinato XAVIN {7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]theophylline,} compound with nicotinic acid (1:1) 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione;3-pyridinecarboxylic acid 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione;pyridine-3-carboxylic acid 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethyl-purine-2,6-dione;nicotinic acid 7-[3-[2-hydroxyethyl(methyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione;pyridine-3-carboxylic acid SK 331 A EINECS 207-115-7 NSC 113217
CAS Registry Number 437-74-1
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Formula C19H26N6O6
InChI InChI=1S/C13H21N5O4.C6H5NO2/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2;8-6(9)5-2-1-3-7-4-5/h8-9,19-20H,4-7H2,1-3H3;1-4H,(H,8,9)
InChIKey GEPMAHVDJHFBJI-UHFFFAOYSA-N
Molecular Weight 434.453 g/mol
SMILES OC(=O)c1cccnc1.OCCN(CC(C[n]1c2c(N(C)C(=O)N(C2=O)C)nc1)O)C
SPLASH splash10-000i-9410000000-6afdc6c46b6330b7fd9e
Source of Spectrum JZ-1992-894-0
Wiley ID 1382841